data_1sw8_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 1sw8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.272 -0.64 . . . . 3.33 109.272 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -71.67 -29.85 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.63 110.376 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.81 -60.82 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 3.45 110.346 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -56.19 -37.01 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 2.59 110.303 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.414 ' CG ' HD11 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.32 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 3.7 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -45.08 -41.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 3.89 109.337 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.18 -58.85 4.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.77 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.43 -45.15 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 2.6 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -52.42 -28.14 18.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 2.45 110.982 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -66.23 -55.25 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.64 109.286 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.21 -35.03 71.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 3.29 110.304 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . . . -66.52 -46.64 75.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 2.11 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CG ' ' CE2' ' A' ' 65' ' ' PHE . 14.3 t80 -37.6 -39.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 2.49 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -51.29 -48.64 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 3.23 110.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 14.6 mt -70.13 -59.97 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.72 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 19.2 m-85 -42.17 -35.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 3.92 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.04 89.98 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.1 109.274 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' CD ' HG21 ' A' ' 34' ' ' THR . 55.2 mmtt -73.7 -58.92 2.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 2.41 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 20.6 p-10 -55.39 -48.98 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 3.98 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 89.73 42.46 5.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.155 . . . . 0.84 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' OD1' ' OD2' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -115.85 11.65 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 2.28 109.321 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.75 -12.95 55.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 1.28 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 m -111.48 142.27 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 2.84 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.61 103.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.77 109.307 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.1 m -76.43 152.13 36.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 1.71 110.411 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' HG12 ' A' ' 52' ' ' ILE . 62.1 p -37.69 -40.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.85 110.412 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -64.99 -51.63 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 4.7 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 34.4 mt-10 -49.38 -34.84 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 2.27 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -70.95 -56.56 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.86 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.35 -21.04 59.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.52 111.001 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.478 HG21 ' CD ' ' A' ' 21' ' ' LYS . 91.9 m -67.88 -53.68 24.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 1.69 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 40.1 t -57.11 -53.46 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 2.36 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.76 -43.92 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 3.53 110.977 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mtt180 -58.76 -44.86 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 5.21 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -53.4 -19.83 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.13 109.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.5 mt -89.22 16.37 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 2.51 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 88.8 -41.93 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 2.26 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -49.95 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 4.63 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -154.39 64.83 4.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.78 109.3 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.95 169.07 23.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.78 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -112.26 143.24 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.86 110.444 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -20.73 9.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 2.63 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.74 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 1.76 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -38.62 73.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 2.09 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 48' ' ' LEU . 4.3 mm? -70.84 -24.72 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 1.86 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.54 -35.65 72.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 2.33 110.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.88 -33.85 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.77 109.323 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.3 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 4.62 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 63' ' ' ILE . 2.8 pp -47.97 -46.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.66 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 54.5 t30 -62.34 -34.13 76.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 2.8 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -59.95 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.19 110.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG1' ' HG3' ' A' ' 71' ' ' MET . 20.6 m -58.31 -48.62 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.91 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 25.5 t70 -43.88 108.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.78 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.44 -57.18 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 2.04 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -39.5 -35.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 2.08 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.58 109.63 2.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.91 111.056 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 3.0 p30 176.88 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 2.81 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 119.36 45.51 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 1.29 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -152.88 166.35 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 1.69 110.437 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 52' ' ' ILE . 1.2 mt -106.54 178.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 2.13 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.484 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 35.1 m-20 -166.88 176.77 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 3.14 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.84 -50.77 86.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 3.22 110.986 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.786 . . . . 0.7 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.94 -60.52 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.53 110.265 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 1.5 t80 -51.82 -45.58 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 2.18 110.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -43.58 -45.55 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 2.68 109.302 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -64.0 -46.73 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.77 110.431 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.419 ' HG3' ' CG1' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -51.1 -59.85 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 3.89 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.0 -55.08 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 4.54 111.02 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.85 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.58 109.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -20.62 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 4.95 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.63 -57.58 11.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 3.25 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -61.35 -26.99 68.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 6.31 110.983 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.1 tppp? -60.61 -55.53 32.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 3.32 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -59.99 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.86 109.359 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 3.5 110.391 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.301 -0.629 . . . . 3.81 109.301 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.518 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 3.4 m -37.47 -32.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 2.64 110.414 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.4 tt0 -62.52 -60.36 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 2.38 110.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.71 -28.31 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 2.41 110.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.11 -59.53 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 4.42 110.324 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.0 pp -55.35 -19.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 4.45 109.265 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.47 109.303 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.5 -44.86 63.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 2.66 110.257 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.2 -32.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 2.54 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -57.61 -59.38 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 3.11 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -31.53 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 3.99 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.28 90.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.77 109.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -39.06 -42.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 2.3 111.041 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -49.59 -53.87 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 2.58 109.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -67.89 -59.91 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.53 109.26 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -42.09 -45.84 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 3.95 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.04 100.06 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.08 109.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 55.4 mmtt -73.84 -57.84 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 2.4 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -51.0 -65.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 2.56 109.3 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.59 41.99 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.76 110.995 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -111.2 -21.4 11.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 1.48 109.328 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 116.79 32.49 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.95 111.058 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 5.2 p -158.94 128.25 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 2.09 110.434 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.0 mp -88.8 79.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.02 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m -52.29 154.34 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 2.05 110.431 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.469 ' CG2' HG12 ' A' ' 52' ' ' ILE . 45.0 p -45.08 -43.76 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.71 110.4 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -63.0 -41.95 99.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 3.25 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.51 -41.72 81.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 2.03 110.288 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -63.53 -44.18 94.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 2.85 109.347 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.18 -23.72 77.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.65 110.982 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.2 m -69.91 -60.19 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 1.69 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 36' ' ' MET . 11.8 p -50.7 -51.93 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 3.4 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.478 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 8.5 mmm -41.64 -45.41 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 3.9 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -61.36 -46.36 90.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 4.08 110.349 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 t -57.71 -19.15 25.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.9 110.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.93 23.57 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 2.19 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.26 -46.23 3.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.525 1.141 . . . . 1.99 111.028 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.59 -174.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 4.19 110.302 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t-20 -163.65 60.6 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.82 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.99 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.83 111.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -102.0 152.57 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.48 110.383 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.1 -19.33 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 3.02 110.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -60.22 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.73 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.19 -38.13 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 2.22 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 48' ' ' LEU . 4.0 mm? -70.76 -29.08 65.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.5 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -53.52 -36.97 62.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 3.04 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -35.09 71.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 2.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -53.82 12.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 3.42 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.5 pp -52.86 -41.42 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.66 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.536 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 37.4 t30 -67.35 -30.94 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 2.32 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.67 -57.92 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 2.73 110.241 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.83 -37.26 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.79 109.355 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.12 109.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.84 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 -54.24 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.31 109.257 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 20.3 p-10 -45.8 -31.71 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 2.68 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 107.36 1.45 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.14 . . . . 0.73 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.9 p30 176.26 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.87 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.29 42.42 0.7 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 1.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 21.4 m -140.39 167.06 23.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 1.78 110.396 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.508 HG21 ' CD1' ' A' ' 68' ' ' PHE . 2.5 mt -107.48 165.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.95 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 29.7 t0 -158.04 177.49 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 2.77 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.07 -50.58 83.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 3.6 111.023 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.07 -28.68 8.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.79 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.4 -59.8 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.53 110.309 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.62 -38.63 81.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 2.32 110.961 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -52.93 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 2.99 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -65.88 -50.34 64.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.79 110.426 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -60.91 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.138 . . . . 3.35 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . 7.2 tpt -60.54 -60.18 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 3.39 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.08 -58.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.71 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.49 -33.66 72.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 5.32 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -46.79 -59.15 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 3.49 109.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.3 -42.62 66.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 4.49 111.001 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -60.08 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 3.92 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.94 -61.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 2.84 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 2.68 110.369 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.281 -0.637 . . . . 3.76 109.281 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.478 ' N ' HD23 ' A' ' 4' ' ' LEU . 12.6 p -37.58 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 3.63 110.389 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 3.2 tm-20 -62.59 -57.57 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.11 110.317 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -69.79 -36.98 76.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 2.14 110.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -64.44 -54.16 36.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 3.77 110.239 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 5' ' ' THR . 6.6 mm -49.89 -39.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 3.53 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.95 11.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.78 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.97 -47.33 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.92 110.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -47.35 -39.6 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 2.93 111.017 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -58.05 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 3.77 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -38.2 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 3.58 110.354 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -56.07 -48.7 75.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.78 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.758 ' CD1' ' CE2' ' A' ' 65' ' ' PHE . 60.2 t80 -37.3 -52.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 2.38 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -56.18 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.98 109.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.02 -52.69 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.9 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 16.7 t80 -42.72 -41.04 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 6.99 110.989 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.75 102.97 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 1.09 109.278 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 65.4 mmtt -75.58 -43.66 47.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 2.46 109.264 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.18 -48.16 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 2.52 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.35 44.17 5.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.78 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.4 p30 -120.45 29.6 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 2.01 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.92 44.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.99 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -137.45 123.81 20.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.805 . . . . 2.31 110.388 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.4 mp -99.68 94.02 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 2.12 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -57.63 151.79 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.87 110.433 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.457 ' CG2' HG12 ' A' ' 52' ' ' ILE . 67.5 p -43.43 -52.2 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.97 110.435 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.24 -39.09 85.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 3.46 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 2.8 mt-10 -56.07 -31.84 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 1.67 110.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.7 tt -66.33 -51.72 54.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 2.54 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.66 -26.48 60.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.62 111.009 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -63.18 -44.82 94.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 1.64 110.394 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 31.3 t -68.89 -50.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 2.56 109.26 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.437 ' CG ' HD22 ' A' ' 32' ' ' LEU . 10.4 mmt -49.61 -60.25 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 3.12 110.968 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -62.61 -35.27 79.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 4.3 110.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -53.83 -21.58 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 3.54 110.001 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.89 -70.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.45 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.64 34.8 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 1.74 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -133.93 -173.19 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 3.21 110.32 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -166.39 61.67 0.68 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 2.22 109.338 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.58 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -100.03 151.03 21.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.94 110.398 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.7 -21.5 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.91 110.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.32 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 1.79 109.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.18 -40.88 62.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.63 110.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 4.3 mm? -70.45 -29.84 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.58 109.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.39 -38.05 65.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 2.82 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.68 -33.29 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.88 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 mtt -70.53 -54.97 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 4.25 111.031 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 32' ' ' LEU . 2.7 pp -51.99 -33.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 1.78 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' HD13 ' A' ' 52' ' ' ILE . 1.3 t30 -61.46 -33.49 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 2.72 109.346 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.97 -58.5 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.13 110.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m -57.8 -39.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.75 109.27 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.74 109.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.02 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.02 -57.35 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -43.01 -34.76 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.83 109.294 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.71 105.13 2.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.89 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 168.3 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 2.73 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.58 -50.57 0.58 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.491 1.12 . . . . 2.73 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 63' ' ' ILE . 99.4 m -51.76 162.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 1.83 110.41 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 32' ' ' LEU . 1.7 mt -102.58 178.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 2.2 109.276 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 65' ' ' PHE . 14.9 t0 -152.63 177.77 10.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 2.85 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.758 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -61.93 -52.98 64.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 3.35 110.953 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.82 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE1' ' OD2' ' A' ' 58' ' ' ASP . 38.4 mt-10 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.85 110.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 1.2 t80 -64.76 -45.21 87.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 2.81 110.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.96 -33.16 36.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 2.96 109.3 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -71.59 -33.22 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.95 110.4 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -59.75 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 3.71 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.454 ' CE ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.53 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 8.22 110.987 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' N ' ' SD ' ' A' ' 72' ' ' MET . . . -60.58 -55.85 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.94 109.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 5.15 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -59.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 4.33 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.6 mtt -53.57 -42.42 67.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 3.91 111.0 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 3.02 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -59.96 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 3.84 109.353 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 3.02 110.395 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.334 -0.617 . . . . 3.87 109.334 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 m -71.68 -58.87 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 3.1 110.39 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.3 -52.43 63.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 3.15 110.328 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.72 -49.55 62.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 3.86 110.285 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.465 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.3 mm-40 -66.24 -57.12 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 3.35 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 16.7 mm -39.42 -39.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 3.52 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.42 -57.29 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 2.07 109.268 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.36 -48.16 68.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 2.79 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 72' ' ' MET . 1.2 m-85 -53.99 -45.68 71.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 2.5 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -60.43 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 3.78 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.63 -50.72 56.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 3.26 110.273 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . . . -46.01 -46.52 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 1.75 109.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.2 t80 -36.28 -45.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.52 111.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.67 -53.37 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 2.13 110.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' ALA . 77.2 mt -70.82 -56.27 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.99 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 3.0 m-85 -45.37 -42.55 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 4.33 111.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -89.64 99.68 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.98 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 35' ' ' VAL . 66.3 mmtt -71.73 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.5 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.35 -53.26 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 2.37 109.32 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.91 33.74 6.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.81 110.946 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -108.45 9.48 27.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.84 109.315 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.84 50.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.67 110.99 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 62' ' ' THR . 4.4 m -102.62 136.51 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 2.75 110.388 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.14 94.31 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.71 109.352 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 29' ' ' THR . 20.3 m -62.95 157.21 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.84 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.474 HG23 ' CD1' ' A' ' 52' ' ' ILE . 44.0 p -53.23 -50.49 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.59 110.402 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.78 -36.96 72.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 3.23 109.289 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.52 -32.72 73.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.66 110.329 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 48' ' ' LEU . 1.9 tt -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 2.62 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.58 -19.34 70.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.51 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -69.56 -42.41 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 1.83 110.391 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 22.0 t -70.79 -51.29 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.54 109.37 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -43.54 -60.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 3.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -61.29 -39.36 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 5.42 110.29 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.38 -26.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 2.25 110.005 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.68 -44.01 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 2.2 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 164.59 -32.16 0.25 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.105 . . . . 1.66 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.06 -172.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 3.65 110.261 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 t-20 -167.51 60.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.97 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.07 173.62 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.67 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 p -100.97 150.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 1.43 110.385 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.38 -19.93 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 2.68 110.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.34 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 1.66 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -51.56 -42.84 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 3.23 110.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.0 mm? -70.51 -23.79 62.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.63 109.338 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.4 -36.33 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 3.5 110.3 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -71.13 -33.83 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.81 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -70.56 -56.74 5.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 3.6 111.039 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 29' ' ' THR . 2.6 pp -51.51 -39.51 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.81 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' HD13 ' A' ' 52' ' ' ILE . 18.3 t30 -64.93 -32.49 74.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.15 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -70.59 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 2.99 110.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.9 m -58.83 -44.04 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.01 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.79 107.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.86 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -105.74 -46.87 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.46 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -41.76 -30.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 2.48 109.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 95.09 99.31 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.94 111.009 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 176.22 -67.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 2.22 109.342 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.93 43.91 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 1.17 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.471 HG22 ' CG2' ' A' ' 26' ' ' THR . 17.7 m -140.18 173.3 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 1.62 110.412 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 68' ' ' PHE . 15.8 mt -108.72 170.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.73 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 17.7 t0 -163.24 171.61 15.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.7 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -55.03 -50.84 84.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 3.5 110.998 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -31.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.81 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.27 -60.43 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 2.02 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD1' HG23 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -54.82 -34.09 62.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 2.19 111.031 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -51.0 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 3.57 109.287 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.1 m -67.36 -42.92 82.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 2.11 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.0 tpt -50.81 -60.51 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 3.03 110.992 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -56.15 -60.12 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.53 111.009 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -44.92 -56.1 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.8 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -60.53 -32.11 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 6.59 110.279 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -59.3 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 4.03 109.252 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 3.7 ptm -60.31 -25.37 65.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 4.42 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -59.35 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 4.17 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -44.78 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 5.05 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 3.7 110.407 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 3.4 109.308 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 3.0 p -53.55 -45.35 69.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 4.41 110.452 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.66 -43.48 93.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 3.86 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 3.09 110.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.4 pt20 -49.62 -40.09 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 7.53 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 5' ' ' THR . 11.6 mm -70.46 -29.16 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 4.03 109.315 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.3 77.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.89 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.92 -47.64 57.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 4.6 110.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 10.5 m-85 -57.62 -28.41 63.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 3.66 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -60.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 2.99 109.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.93 -32.77 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 5.69 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -66.87 -56.25 11.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 2.07 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 40.5 t80 -36.55 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 2.33 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.23 -53.48 56.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.78 110.008 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.2 mt -70.26 -51.31 31.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 2.12 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 23.3 m-85 -55.51 -35.8 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 5.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 27.9 t0 -96.59 39.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.68 109.285 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -38.14 -45.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 2.64 109.279 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' CB ' ' OE2' ' A' ' 31' ' ' GLU . 25.4 m-20 -49.34 -53.46 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 2.28 109.315 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 88.02 39.81 6.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.137 . . . . 0.81 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.413 ' OD2' ' OG1' ' A' ' 26' ' ' THR . 0.9 OUTLIER -112.14 -35.71 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 2.7 109.336 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.77 -4.65 5.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.15 . . . . 0.98 111.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' ' 24' ' ' ASP . 26.6 p -122.31 149.62 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 2.17 110.438 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.7 mp -104.25 77.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.96 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.3 m -45.63 141.83 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 1.76 110.418 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 p -41.87 -36.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.78 110.449 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 34' ' ' THR . 16.0 pttp -62.73 -47.11 85.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 5.25 109.328 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' THR . 41.3 mt-10 -62.58 -31.22 72.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.79 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 48' ' ' LEU . 1.7 tm? -63.52 -53.18 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 3.51 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' N ' HD11 ' A' ' 32' ' ' LEU . . . -71.08 -28.5 70.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.48 110.976 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 47.9 m -62.26 -49.09 77.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 1.62 110.389 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 47.7 t -57.5 -50.01 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.54 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' VAL . 12.0 mmt -37.06 -54.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 2.68 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -49.44 -48.34 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 6.29 110.311 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -45.88 -29.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.98 109.946 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 88.0 mt -89.45 -33.68 16.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 2.09 109.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 142.58 -48.98 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.91 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.424 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -49.86 139.34 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 5.6 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.8 m120 -132.02 64.03 70.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 4.08 109.273 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.0 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.777 . . . . 0.88 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -109.05 141.43 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.29 110.367 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -19.8 35.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 3.03 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -57.73 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.64 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.24 -43.54 70.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.97 110.316 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 32' ' ' LEU . 3.9 mm? -70.86 -24.49 62.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.72 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.7 tt0 -51.39 -37.76 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 3.2 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.37 -32.17 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.87 109.276 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.7 -57.97 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 4.72 111.034 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 49' ' ' GLN . 2.8 pp -49.64 -43.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.82 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.0 -33.01 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.77 109.271 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.29 -60.19 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 2.33 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -56.65 -46.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.56 109.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 10.4 t70 -50.48 108.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.77 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.42 -58.16 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 2.11 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 1.2 p30 -39.86 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 2.16 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 101.71 1.82 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.81 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 2.75 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.81 23.3 3.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 1.29 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 39.1 m -135.75 161.02 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 2.01 110.376 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG21 ' CD1' ' A' ' 68' ' ' PHE . 8.6 mt -89.35 168.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.78 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 63' ' ' ILE . 5.8 t0 -151.33 174.25 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.35 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -62.26 -52.31 67.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 3.17 110.984 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -26.47 10.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.63 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -70.39 -60.35 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.54 110.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -55.36 -39.88 70.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.36 111.028 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -47.96 -43.44 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 3.31 109.324 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 3.0 m -71.11 -41.0 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.9 110.392 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.03 -60.14 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 3.83 110.988 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -60.47 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 3.7 111.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.52 -56.88 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 1.78 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -60.84 -40.25 92.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 5.06 110.302 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -59.33 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 2.69 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -43.64 55.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 4.27 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -56.95 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.13 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -62.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 2.8 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 2.52 110.427 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' C ' ' N ' ' A' ' 6' ' ' GLU . 3.4 tm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.32 -0.622 . . . . 3.21 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 9' ' ' ILE . 17.0 m -45.47 -24.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 3.28 110.398 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.6 tt0 -56.43 -61.49 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.75 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -32.64 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 2.28 110.322 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 1.4 tp60 -63.51 -49.64 72.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 4.2 110.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 5' ' ' THR . 5.7 mt -49.3 -46.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 3.63 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.83 -47.85 42.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 1.5 109.304 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.91 -49.26 47.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 2.51 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 8' ' ' GLN . 15.3 m-85 -55.56 -44.95 77.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 4.36 111.052 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 4.48 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ALA . 2.0 mm-40 -71.7 -56.25 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 3.63 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . . . -39.35 -46.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 2.05 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 64.5 t80 -34.38 -57.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 2.36 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' PHE . 1.1 t -37.55 -47.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.99 109.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.0 mt -70.28 -58.21 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 2.18 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 17.4 m-85 -44.14 -54.35 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 4.02 110.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -76.28 97.76 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.92 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' CE ' HG22 ' A' ' 35' ' ' VAL . 62.5 mmtt -74.35 -55.17 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 2.32 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.75 -58.48 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 2.23 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.67 36.28 4.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.7 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.75 -38.66 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 1.76 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 129.93 39.68 0.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.95 111.05 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 10.1 p -158.8 123.24 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 2.14 110.399 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 27' ' ' ILE . 2.4 mp -86.73 79.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 2.07 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.7 m -46.06 150.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.78 110.408 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.6 p -48.84 -48.93 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.59 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -65.96 -35.22 80.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 4.18 109.293 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.67 -28.73 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 2.09 110.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.71 -49.45 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 3.25 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.14 -34.85 67.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.52 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -55.13 -55.21 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 1.87 110.383 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 79.2 t -51.17 -53.6 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 2.19 109.291 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -41.39 -51.53 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 2.73 110.953 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 0.8 OUTLIER -59.27 -40.41 85.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 6.78 110.312 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -56.31 -23.06 34.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 2.15 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.6 -43.19 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 2.26 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.55 44.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 1.7 110.969 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -140.02 -174.73 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 3.59 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -156.41 62.31 2.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.78 109.277 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.96 166.58 28.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.61 111.004 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -101.35 152.77 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.25 110.375 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -19.64 65.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.03 110.271 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.68 -60.44 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 1.86 109.358 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.19 -44.44 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.78 110.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 3.8 mm? -71.07 -24.99 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 1.67 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 24.0 tt0 -49.42 -39.55 33.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 3.34 110.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.53 -32.93 70.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 2.12 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.0 mmt -70.52 -59.09 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 3.69 110.998 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.63 -46.74 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.93 109.291 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.52 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 63.6 t-20 -65.3 -32.69 74.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 2.14 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.62 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.73 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.63 -50.55 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.74 109.288 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 10.1 t70 -54.07 106.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 1.5 109.295 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -88.24 -55.7 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 1.35 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.93 -33.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 2.32 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.43 98.06 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.115 . . . . 1.15 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -164.2 -55.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 0.762 . . . . 2.86 109.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.56 36.81 0.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 1.27 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -146.77 154.79 41.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.85 110.422 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.2 mt -100.54 171.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.82 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -152.86 -172.08 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 3.18 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -63.44 -49.85 76.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 3.31 110.984 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 1.37 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.1 -57.11 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.62 110.318 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.9 t80 -58.9 -52.57 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.17 110.951 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -40.33 -41.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 2.84 109.26 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -69.58 -45.47 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.15 110.418 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -50.5 -60.26 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 3.26 110.953 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -57.49 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 3.55 111.018 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.72 -54.54 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.79 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.09 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 4.03 110.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -58.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 4.41 109.359 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.89 -45.47 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 4.27 111.04 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -55.93 -57.13 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 3.61 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.61 -60.97 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 3.57 109.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 3.11 110.412 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.316 -0.624 . . . . 3.37 109.316 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.415 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 t -41.02 -33.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.74 110.405 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.78 -58.43 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 2.58 110.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.28 -28.51 65.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.91 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -69.68 -56.89 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 3.52 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.5 mm -49.78 -39.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.78 109.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.05 -58.0 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.6 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.67 -46.96 62.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 2.51 110.326 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -39.09 30.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 2.65 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -60.13 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 3.31 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.84 -40.49 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 3.05 110.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -52.48 -57.13 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 1.53 109.253 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.8 t80 -34.84 -52.81 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.71 111.04 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 t -39.3 -47.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 2.13 109.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' ALA . 21.3 mt -70.81 -60.28 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 1.67 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 20.1 m-85 -42.72 -43.01 3.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 3.8 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.24 98.93 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 38.2 mmtt -70.04 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 2.51 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -43.59 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 3.38 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.4 40.91 0.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.89 110.969 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -112.1 -31.23 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 1.58 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 124.76 38.07 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.94 111.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 17.2 p -158.21 133.38 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 2.79 110.457 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.5 mp -94.08 77.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 2.05 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -47.57 153.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.58 110.384 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.2 p -48.56 -51.1 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.8 110.401 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -62.77 -37.38 86.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 3.82 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.87 -26.44 68.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 2.2 110.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 48' ' ' LEU . 1.6 tm? -70.69 -43.99 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 3.44 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.89 -19.14 78.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.52 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 21' ' ' LYS . 89.5 m -66.0 -60.47 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.64 110.358 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 36' ' ' MET . 4.8 p -54.83 -52.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 3.06 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.485 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 10.6 mmt -45.58 -49.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 3.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.45 -48.2 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 7.08 110.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 t -59.07 -19.37 43.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 2.39 110.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.0 mt -89.79 35.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 2.67 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLN . . . 80.59 -49.94 3.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 1.65 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLY . 36.6 mt-30 -49.05 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 3.95 110.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.563 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -165.08 57.09 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.78 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 176.93 9.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.811 . . . . 0.7 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -105.65 150.68 25.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.55 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -21.25 65.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.14 110.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -59.55 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 1.61 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.73 -45.32 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 2.02 110.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 32' ' ' LEU . 4.2 mm? -70.59 -23.07 62.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 1.62 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 21.9 tt0 -53.95 -37.65 64.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 2.48 110.261 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.26 -31.01 66.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mmm -70.46 -59.4 2.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 3.21 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.58 -48.77 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.6 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.575 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -62.93 -33.85 76.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 2.23 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.16 -59.67 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.86 110.292 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 71' ' ' MET . 17.4 m -59.02 -42.85 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.76 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -50.22 108.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.74 109.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.71 -44.41 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.93 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 15.8 p-10 -51.15 -27.46 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.42 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.67 109.63 1.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.81 110.957 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 3.4 p-10 170.59 -54.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 2.57 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.34 46.12 0.38 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 1.29 111.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.7 m -146.8 167.15 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 1.75 110.354 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CG2' ' H ' ' A' ' 64' ' ' ASP . 22.3 mt -111.36 173.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.93 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 67.6 m-20 -168.0 -174.83 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 2.7 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -51.86 -50.0 80.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 3.86 111.005 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.1 Cg_endo -75.06 -64.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.564 1.823 . . . . 1.35 110.945 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PRO . 55.7 mt-10 -34.75 -54.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.75 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.3 t80 -65.18 -48.55 73.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 2.17 111.035 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.43 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 3.19 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -69.44 -40.86 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.86 110.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.457 ' HG3' ' CG1' ' A' ' 55' ' ' VAL . 7.5 ttt -54.5 -58.66 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.16 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LYS . 15.8 ttm -58.64 -59.22 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 4.38 111.029 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.36 -55.09 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.71 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 3.8 mmm180 -60.73 -26.26 67.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 7.61 110.271 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -60.73 -58.87 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 2.7 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 1.7 ptt? -61.61 -24.11 66.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 4.96 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' MET . 16.1 ttmt -60.48 -60.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 4.66 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.05 -59.99 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 4.62 109.262 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 2.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.76 110.429 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 5' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 3.27 109.276 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.483 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -39.72 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 2.71 110.43 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -63.27 -60.29 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 2.53 110.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 2.57 110.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' OE1' ' CG ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -70.55 -61.23 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 5.58 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.4 pp -52.73 -25.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 4.61 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.08 -60.25 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.45 109.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.55 -45.61 65.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 2.6 110.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.44 ' CG ' ' OE1' ' A' ' 8' ' ' GLN . 1.6 m-85 -48.17 -31.55 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 2.15 111.046 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -57.67 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 3.07 109.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.5 -38.07 71.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.2 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -58.88 -49.24 78.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 2.14 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 12.3 t80 -36.09 -49.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 2.61 111.012 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 t -41.8 -45.62 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.89 109.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' ALA . 24.7 mt -70.07 -60.31 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.8 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 25.1 m-85 -46.45 -51.69 14.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 3.79 110.972 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' OD2' ' CA ' ' A' ' 25' ' ' GLY . 5.7 t0 -88.4 60.72 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.57 109.256 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -63.66 -17.21 62.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 2.87 109.317 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -44.8 73.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 2.08 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.35 36.03 13.32 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.87 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -128.29 12.07 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 1.66 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' CA ' ' OD2' ' A' ' 20' ' ' ASP . . . 73.73 2.14 60.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 1.03 110.966 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 58.3 m -116.98 133.01 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 3.53 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.1 mp -103.21 84.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.8 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.7 m -55.52 147.57 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 1.52 110.385 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 71.9 p -41.92 -44.57 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.84 110.422 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -61.44 -42.67 99.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 3.68 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' THR . 25.8 mt-10 -63.6 -30.11 71.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.13 110.249 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.541 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 1.6 tt -63.63 -52.4 61.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 2.7 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.06 95.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 1.01 111.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 ' CG2' ' HD3' ' A' ' 21' ' ' LYS . 89.4 m -41.6 -54.66 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 1.69 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 13.1 t -62.16 -57.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 2.87 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' VAL . 24.2 mmt -34.96 -52.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 3.25 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -51.5 -58.14 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 5.97 110.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -28.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 2.49 109.949 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -87.09 46.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.49 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.11 50.28 22.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 2.09 111.008 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -140.97 -176.61 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 3.6 110.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -172.55 64.01 0.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.89 109.297 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 175.93 10.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.803 . . . . 0.59 110.999 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -108.49 141.78 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.61 110.409 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -19.35 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 2.64 110.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -55.46 18.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.68 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.55 -37.29 86.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.63 110.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD1' HD23 ' A' ' 32' ' ' LEU . 3.8 mm? -70.65 -25.63 63.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 2.18 109.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 36.0 tt0 -56.82 -36.45 69.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 2.85 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.17 -34.15 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 2.13 109.324 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -57.52 4.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 3.24 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 53' ' ' ASN . 2.4 pp -48.92 -43.55 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.8 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' HD11 ' A' ' 52' ' ' ILE . 21.8 t-20 -66.6 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.29 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -70.55 -56.51 6.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.88 110.298 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 71' ' ' MET . 13.0 m -60.16 -46.02 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.79 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.22 109.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.83 109.308 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -97.5 -48.06 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.6 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ALA . 1.6 p30 -40.33 -31.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 2.75 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.77 89.5 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 1.12 111.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.53 -63.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 2.88 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.45 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 1.31 111.017 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 26' ' ' THR . 25.2 m -150.13 166.9 28.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 1.84 110.359 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 68' ' ' PHE . 2.0 mt -103.42 165.42 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 2.27 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.6 t0 -152.03 166.94 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 2.47 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -55.62 -50.86 84.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 3.25 110.957 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -29.63 8.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 1.01 110.977 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.93 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.01 110.309 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.4 t80 -50.23 -39.85 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 2.27 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -55.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 4.17 109.326 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -58.63 -52.13 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 1.98 110.377 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.38 -61.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 3.82 111.038 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 4.5 110.994 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.71 -57.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.79 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -60.89 -40.38 92.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 6.06 110.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -60.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 3.19 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -43.36 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 4.75 111.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.86 52.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 5.06 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -60.89 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 3.57 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.7 110.385 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 3.67 109.355 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.508 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.9 t -58.61 -21.84 54.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 2.69 110.371 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -61.81 -56.76 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 2.52 110.252 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -71.62 -29.78 65.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 2.61 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 3.7 mm-40 -70.27 -60.58 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 3.67 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.2 pp -51.34 -30.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 4.39 109.348 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.51 -59.87 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.69 109.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.56 -45.07 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 2.93 110.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -48.86 -37.57 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 2.38 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -51.96 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 2.83 109.303 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -32.49 70.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 3.7 110.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -66.75 -42.54 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.8 109.268 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 42.6 t80 -38.05 -39.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 2.39 111.024 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -53.61 50.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 2.27 109.997 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.3 -59.55 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.8 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 10.5 m-85 -44.23 -44.93 8.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 3.8 110.994 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -99.96 46.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.45 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CD ' HG23 ' A' ' 34' ' ' THR . 0.2 OUTLIER -41.2 -44.78 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 3.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.97 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 2.32 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.94 43.84 5.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.594 1.184 . . . . 0.79 111.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 26.87 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 2.03 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 27.13 13.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 1.15 111.025 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -148.19 115.59 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 2.7 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mp -83.24 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 2.16 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.4 m -78.05 150.21 33.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.78 110.386 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.474 ' N ' HG23 ' A' ' 28' ' ' THR . 37.8 p -41.95 -30.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.74 110.43 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -70.05 -44.49 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 4.4 109.335 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -55.49 -34.43 64.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 2.67 110.35 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 48' ' ' LEU . 61.5 tp -71.16 -60.28 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 3.39 109.234 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.67 -32.0 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.61 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.477 HG23 ' CD ' ' A' ' 21' ' ' LYS . 51.0 m -67.42 -57.55 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 1.63 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG22 ' CE ' ' A' ' 21' ' ' LYS . 94.1 t -51.82 -49.8 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 2.29 109.292 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mmt -37.83 -58.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 3.49 110.977 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.6 mtp85 -56.87 -42.67 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 6.56 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.5 t -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 2.51 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 37' ' ' ARG . 80.9 mt -83.45 -48.3 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 2.08 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 160.5 -43.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 1.74 110.957 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -45.73 172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 4.41 110.282 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.51 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 14.5 m120 -145.84 59.86 6.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 4.64 109.318 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.93 172.3 16.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.75 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.63 140.35 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.53 110.429 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -19.64 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 3.4 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.7 -58.91 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.69 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.93 -38.62 73.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.9 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.1 mm? -70.3 -29.71 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 1.51 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 52' ' ' ILE . 56.5 tt0 -51.85 -37.92 53.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 2.14 110.296 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.7 -31.94 67.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.24 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -58.9 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 4.38 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 63' ' ' ILE . 2.7 pp -47.13 -48.03 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.7 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -61.08 -35.27 76.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 1.71 109.349 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -70.09 -60.33 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 2.13 110.321 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.6 m -56.62 -47.63 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.68 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 24.0 t70 -49.1 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.8 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 -48.12 5.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.28 109.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 36.7 p-10 -47.27 -30.13 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 2.46 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.45 111.94 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.77 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.0 p30 173.13 -51.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 2.71 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.97 39.43 0.65 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 1.27 111.017 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 23.9 m -147.13 161.17 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 1.61 110.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' CD1' HG23 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -99.89 178.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.82 109.331 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.442 ' N ' ' HB2' ' A' ' 67' ' ' GLU . 19.3 t0 -167.21 172.15 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 2.62 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -52.49 -52.92 59.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 3.05 110.98 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -32.98 4.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.6 110.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 51.5 mt-10 -66.0 -60.45 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.87 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.33 -44.7 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 2.36 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -43.13 -48.71 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 3.97 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -60.35 -48.63 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.96 110.402 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.84 -60.42 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.77 110.998 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -56.99 -59.86 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 4.83 110.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -43.1 -54.79 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.83 109.315 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 1.4 mmm180 -61.02 -35.85 77.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 7.62 110.319 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -60.02 4.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 3.18 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 21.0 ptm -58.32 -28.9 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 4.58 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.1 OUTLIER -60.93 -58.98 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.3 109.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.8 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 3.35 110.405 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.237 -0.653 . . . . 2.95 109.237 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -58.3 -22.39 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 2.74 110.427 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.15 -60.82 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.63 110.325 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.18 -31.6 69.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.87 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.586 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 5.1 mm100 -68.84 -49.88 54.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 3.29 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.9 mm -47.12 -44.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 1.127 . . . . 3.71 109.264 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.23 80.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 1.79 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -70.36 -47.34 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.77 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 21.7 m-85 -59.96 -44.42 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 4.39 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.36 -58.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 4.19 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.92 -32.14 73.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 3.45 110.312 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -63.58 -59.04 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 2.44 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 17.6 t80 -37.44 -35.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 2.62 110.997 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.2 t -65.76 -52.1 53.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 2.21 110.032 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 65.9 mt -70.24 -49.57 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.74 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CE2' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -59.47 -44.63 92.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 5.77 110.977 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' PHE . 19.4 t0 -92.96 56.14 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.42 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 3.3 pttt -57.07 -38.02 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 6.64 109.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.57 -42.9 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.49 109.273 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.82 43.07 36.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.84 111.014 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.83 -20.44 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 2.02 109.305 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.85 2.21 27.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.94 111.013 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.16 138.2 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 2.11 110.396 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.477 HG22 ' CG1' ' A' ' 63' ' ' ILE . 1.1 mp -95.53 97.6 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 2.02 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 31' ' ' GLU . 5.6 m -64.35 144.09 57.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.57 110.423 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' THR . 51.0 p -37.22 -38.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.45 110.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 7.1 pttt -63.79 -52.64 59.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 4.49 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -45.95 -33.55 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.8 110.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.7 tt -70.99 -59.91 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 2.6 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.16 45.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.73 110.961 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.455 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 m -63.6 -61.28 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 2.22 110.433 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 90.6 t -43.78 -52.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.72 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmm -38.5 -54.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 4.28 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -55.74 -43.22 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 4.27 110.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.71 -23.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.95 110.014 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.02 -35.73 17.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 2.34 109.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 144.13 -50.09 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.9 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -43.49 167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 5.4 110.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.7 m-80 -139.88 61.17 17.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 3.4 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.98 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.86 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -107.06 145.89 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.64 110.381 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.92 -20.05 65.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 2.39 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -58.8 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.81 109.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.1 -38.77 68.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 2.18 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 3.8 mm? -70.33 -30.22 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.48 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -53.98 -36.87 63.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 2.21 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.91 -33.52 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 2.35 109.309 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -57.66 4.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 3.71 111.041 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 56' ' ' ASP . 2.7 pp -49.77 -42.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.72 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 t-20 -62.44 -35.04 78.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.24 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -60.01 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 1.79 110.306 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.79 -34.86 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.85 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 22.7 t70 -65.69 109.38 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.98 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -104.33 -46.27 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.39 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.48 -30.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 2.89 109.251 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 92.8 96.74 1.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.87 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -179.98 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 2.18 109.33 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.14 46.59 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 1.25 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 m -144.6 163.09 34.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 1.82 110.409 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 27' ' ' ILE . 1.6 mt -99.96 179.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.15 109.321 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.504 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 34.5 t0 -172.73 -178.93 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 3.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.09 -50.8 85.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 4.3 111.024 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.03 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.72 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.93 -49.63 56.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.97 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 6.6 t80 -55.56 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 5.9 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -38.63 -51.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 3.5 109.316 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -52.55 -48.9 65.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.12 110.397 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' PHE . 10.4 tpt -51.34 -60.37 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 4.18 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 3.93 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.7 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -60.56 -37.33 80.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.93 110.274 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -58.21 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 3.63 109.314 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.458 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -55.14 -42.03 72.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 4.75 110.982 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -57.75 11.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 4.26 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -54.6 -61.12 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 3.02 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 12.7 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.79 110.411 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 3.54 109.33 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.404 ' N ' HD11 ' A' ' 4' ' ' LEU . 13.8 t -41.94 -29.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 3.36 110.385 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.0 tt0 -53.78 -60.22 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 2.79 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.53 -36.15 78.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 2.3 110.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 13.2 tp60 -60.82 -60.16 4.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 4.62 110.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -43.21 -39.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 3.95 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.31 6.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 1.39 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.51 -45.73 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.97 110.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -30.34 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 2.47 111.017 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.92 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 3.04 109.311 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.29 -35.82 73.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.04 110.322 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -61.61 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.64 109.305 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 61.7 t80 -36.8 -47.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 2.26 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -43.64 -51.55 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 2.15 109.975 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 14.8 mt -70.66 -60.71 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.66 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 18.6 m-30 -38.01 -38.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 4.24 110.956 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -102.78 103.34 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.09 109.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.545 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 22.7 mmtp -72.41 -61.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 3.73 109.321 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.09 -62.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 2.37 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.4 39.08 3.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.75 110.991 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.99 -36.69 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 1.42 109.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 130.94 39.22 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 1.13 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 1.3 p -161.73 120.98 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 2.05 110.403 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.3 mp -81.86 79.59 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 2.26 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.0 m -44.81 141.74 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.74 110.407 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.47 HG21 ' CD1' ' A' ' 52' ' ' ILE . 70.8 p -44.93 -51.04 10.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.87 110.364 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -58.66 -36.58 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.76 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.24 -28.23 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.18 110.287 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD23 ' CG2' ' A' ' 52' ' ' ILE . 12.1 tp -69.25 -44.9 71.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 3.59 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.13 -26.57 72.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.74 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.446 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 87.0 m -66.47 -59.26 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 2.06 110.401 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG23 ' CE ' ' A' ' 21' ' ' LYS . 2.4 t -44.93 -55.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 2.14 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 3.9 mmt -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 3.6 110.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 42' ' ' ASN . 26.2 mtt85 -50.08 -46.06 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 6.52 110.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -34.15 8.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.87 109.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 36' ' ' MET . 3.3 mt -69.92 -43.93 70.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 3.57 109.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 48.18 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 2.2 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -122.75 -38.59 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 0.794 . . . . 4.78 110.249 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.518 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 54.71 59.28 11.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 2.22 109.297 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 178.73 6.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.63 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -105.98 145.62 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.54 110.436 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.8 -19.5 65.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 2.83 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -57.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.68 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.58 -40.11 74.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 2.05 110.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 32' ' ' LEU . 4.2 mm? -70.49 -27.65 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.13 109.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.71 -37.13 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 2.08 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.77 -34.54 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 1.69 109.25 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.85 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 3.64 111.011 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' CG2' HD23 ' A' ' 32' ' ' LEU . 2.9 pp -47.65 -48.19 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.77 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.445 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -62.97 -33.81 76.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.58 109.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.96 -60.27 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 1.86 110.249 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 71' ' ' MET . 16.7 m -56.87 -44.01 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.57 109.253 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 18.9 t70 -51.2 109.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.76 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -98.64 -57.34 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.43 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -39.33 -35.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 2.11 109.311 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 60' ' ' ASP . . . 95.12 96.25 1.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.79 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -168.61 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 2.91 109.314 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.09 35.44 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.22 111.02 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -140.42 166.93 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 1.64 110.409 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.473 HG21 ' N ' ' A' ' 64' ' ' ASP . 4.7 mt -103.95 166.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.91 109.298 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.519 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.5 m-20 -156.49 -175.43 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 3.25 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -65.67 -48.77 63.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 3.76 111.024 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -32.44 5.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.75 110.978 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE2' ' OD1' ' A' ' 58' ' ' ASP . 69.4 mt-10 -69.86 -61.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.88 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 1.4 t80 -56.88 -34.1 67.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 2.16 111.036 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -50.73 -56.51 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 3.14 109.322 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 2.2 m -60.77 -49.36 77.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 2.06 110.382 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.479 ' CG ' HG11 ' A' ' 55' ' ' VAL . 5.2 ttt -50.56 -59.92 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 3.28 111.042 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 3.46 110.971 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.15 -58.5 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 1.76 109.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 3.81 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -44.34 -57.92 3.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 3.25 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.82 -39.8 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 5.25 111.049 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -60.08 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 4.77 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.18 -61.16 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 2.98 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.96 110.406 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.26 -0.644 . . . . 3.53 109.26 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.503 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 1.2 m -44.43 -25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 2.75 110.381 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 4' ' ' LEU . 16.3 tt0 -60.16 -57.61 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 2.96 110.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.44 -28.45 65.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 2.71 110.325 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -69.67 -59.74 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 3.33 110.278 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 5' ' ' THR . 1.2 pp -55.72 -19.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 4.35 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 1.56 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.06 -44.22 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.05 110.276 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.71 -30.16 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 2.32 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -60.01 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 3.25 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.21 -32.94 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 4.65 110.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.558 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . . . -63.6 -43.77 95.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.68 109.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -39.81 -44.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 2.31 111.017 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 t -51.02 -50.94 57.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 2.45 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.5 -59.85 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.89 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 11.2 m-85 -42.07 -45.66 4.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 4.39 110.959 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.6 100.69 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HE2' ' CG2' ' A' ' 35' ' ' VAL . 39.1 mmtt -78.73 -54.56 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.61 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.79 -50.67 33.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 2.36 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.61 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.081 . . . . 0.62 111.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -22.47 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.5 109.303 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.58 29.66 2.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.98 111.022 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -154.66 126.89 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 2.29 110.402 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.8 mp -92.76 105.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.82 109.264 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 5.5 m -80.38 152.96 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.93 110.393 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.485 ' CG2' HG12 ' A' ' 52' ' ' ILE . 43.1 p -38.08 -36.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.95 110.404 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.92 -52.67 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 5.27 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' THR . 49.3 mt-10 -48.98 -31.61 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 2.15 110.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -71.08 -58.56 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 3.03 109.312 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -20.56 60.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.6 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.463 HG21 ' CD ' ' A' ' 21' ' ' LYS . 27.2 m -67.63 -43.69 79.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 1.88 110.399 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 10.7 t -70.68 -49.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 2.64 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.0 mmm -42.26 -62.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 4.09 111.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 38' ' ' SER . 8.2 ppt_? -60.65 -27.11 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 5.93 110.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.66 -21.03 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 2.58 110.044 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -89.37 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 2.74 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.59 -42.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 2.03 111.023 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -48.65 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 4.46 110.291 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m-80 -153.89 61.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 2.74 109.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.65 111.007 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.03 138.59 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.91 110.382 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.95 -20.2 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.06 110.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -59.94 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.77 109.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.17 -43.94 52.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.6 110.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 32' ' ' LEU . 2.8 mm? -70.53 -26.98 63.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.73 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -52.25 -37.82 56.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 2.53 110.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.63 -32.4 69.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.77 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.63 -58.69 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 3.06 111.022 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.485 HG12 ' CG2' ' A' ' 29' ' ' THR . 2.8 pp -48.92 -46.17 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.79 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 1.7 t-20 -64.11 -34.11 77.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.01 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -70.74 -60.04 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 2.29 110.338 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 16.1 m -55.11 -50.16 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.77 109.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 11.7 t70 -52.58 106.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.2 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -86.1 -56.55 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.7 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.09 -34.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 2.17 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 89.23 86.86 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.53 111.017 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -151.06 -54.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 2.77 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.3 41.72 0.53 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.158 . . . . 1.33 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.0 m -147.28 155.11 41.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 1.71 110.378 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 32' ' ' LEU . 1.6 mt -87.04 163.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.94 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.564 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.0 t0 -151.64 154.19 35.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 2.86 109.322 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -49.01 -47.3 75.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 3.49 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.02 -30.5 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.7 111.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -72.33 -60.09 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.63 110.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.9 -53.69 24.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 2.25 111.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -51.26 -45.62 62.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 3.02 109.286 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.419 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.6 m -64.18 -43.58 94.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 2.14 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 8.8 tpt -53.95 -60.42 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 4.65 111.048 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 4.95 111.044 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -47.19 -55.27 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.65 109.331 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.98 -32.1 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 5.98 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -58.97 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 3.91 109.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.472 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 6.3 ptm -59.71 -22.25 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 4.88 111.043 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 76' ' ' MET . 2.9 ttmt -61.5 -59.99 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 4.83 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.48 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.65 109.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 3.81 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.294 -0.632 . . . . 3.58 109.294 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.1 m -32.99 -52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.89 110.393 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -50.01 73.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 3.61 110.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.2 mt-10 -61.15 -60.55 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 3.62 110.255 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.471 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 3.8 pt20 -50.31 -49.09 54.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 6.63 110.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.455 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 14.9 mm -59.27 -32.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 3.63 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.37 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.47 109.267 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -47.54 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 4.19 110.323 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -50.96 -43.7 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 3.38 110.962 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -58.75 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 3.65 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.83 -40.16 76.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.64 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -53.13 -53.3 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.96 109.314 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.4 t80 -33.03 -50.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 2.34 111.01 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -46.1 -60.37 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 2.23 109.98 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.88 -55.87 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.1 109.324 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.798 ' CE1' ' CE2' ' A' ' 68' ' ' PHE . 16.2 t80 -39.84 -44.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 6.78 111.018 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.84 100.97 13.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 1.03 109.263 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CE ' HG21 ' A' ' 35' ' ' VAL . 49.8 mmtt -66.34 -65.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 2.5 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.64 -60.03 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.58 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.68 46.48 2.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.84 110.983 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -109.1 -10.51 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 1.35 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.98 22.39 7.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.91 111.037 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -154.81 134.99 13.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 2.22 110.392 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.585 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.8 mp -99.22 96.53 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 2.04 109.362 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -58.69 156.66 10.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.7 110.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.483 HG23 ' CG1' ' A' ' 52' ' ' ILE . 37.0 p -51.92 -51.37 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.63 110.364 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -31.15 72.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 3.15 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.73 -27.86 68.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 1.74 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 1.5 tt -67.21 -53.57 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 2.81 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -50.93 -31.81 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.52 111.06 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.74 -56.89 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 1.77 110.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG21 ' CE ' ' A' ' 21' ' ' LYS . 97.0 t -52.22 -55.62 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 2.6 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -38.0 -43.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 3.13 111.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 9.1 mtm180 -60.73 -51.02 71.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 4.27 110.235 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.85 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 2.63 109.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -79.46 -49.09 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.59 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 139.9 44.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 1.87 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.22 175.83 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 3.53 110.308 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -157.47 63.22 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.76 109.306 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.8 111.003 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.65 36.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 2.18 110.383 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -20.0 52.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 2.44 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.95 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.17 109.313 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.82 -42.31 65.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 2.04 110.318 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.6 mm? -70.72 -26.75 63.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.84 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -51.89 -38.36 55.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 2.99 110.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -71.84 -32.28 67.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 2.23 109.32 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.45 ' HE2' ' CE ' ' A' ' 71' ' ' MET . 0.9 OUTLIER -70.36 -59.35 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 3.79 110.991 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.483 ' CG1' HG23 ' A' ' 29' ' ' THR . 2.7 pp -46.95 -48.18 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.51 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' N ' HD13 ' A' ' 52' ' ' ILE . 34.4 t-20 -60.72 -35.58 76.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 2.17 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.14 -58.31 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 2.36 110.301 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 56' ' ' ASP . 3.4 m -59.73 -26.42 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.75 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 55' ' ' VAL . 9.5 t70 -78.07 109.24 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.97 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -90.91 -55.65 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.42 109.292 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -35.8 -35.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.22 109.256 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 89.39 85.46 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 1.24 110.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -54.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 2.77 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.36 40.73 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 1.27 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -145.03 162.39 37.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.77 110.459 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CD1' HD12 ' A' ' 32' ' ' LEU . 10.5 mt -100.02 171.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.68 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.492 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 35.4 t0 -168.19 177.95 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 2.76 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.513 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -57.6 -50.81 86.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 3.6 111.008 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -31.31 6.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.86 111.057 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 56.7 mt-10 -70.6 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.11 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.798 ' CE2' ' CE1' ' A' ' 19' ' ' PHE . 1.1 t80 -56.54 -41.99 77.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 2.16 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' ' OE1' ' A' ' 8' ' ' GLN . 2.2 mt -39.12 -51.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 4.01 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -66.98 -40.07 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 2.09 110.378 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.45 ' CE ' ' HE2' ' A' ' 51' ' ' MET . 11.3 ttt -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 4.16 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 11.8 mtp -60.38 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.45 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.62 -57.89 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.89 109.249 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -60.09 -23.91 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 4.35 110.336 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -57.55 -57.75 11.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 5.12 109.304 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.46 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 0.9 OUTLIER -60.92 -22.39 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 4.01 111.036 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.2 OUTLIER -60.81 -60.14 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 4.14 109.304 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -53.64 -60.52 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 3.52 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 7.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 3.22 110.426 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.304 -0.628 . . . . 3.81 109.304 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.8 m -36.98 -35.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 2.51 110.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 7' ' ' GLU . 18.8 pt-20 -62.16 -55.57 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 4.16 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 6' ' ' GLU . 4.5 pt-20 -71.15 -37.61 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.59 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -64.01 -54.04 40.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 3.47 110.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.79 -35.86 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 4.1 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.78 -55.55 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 1.45 109.333 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.03 -46.6 61.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.52 110.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -50.51 -38.5 44.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.44 111.031 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -49.68 -60.69 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 3.57 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.42 72.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 4.1 110.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -54.47 -50.58 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.97 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 27.8 t80 -37.46 -53.68 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.7 110.971 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PHE . 41.5 t -38.93 -48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 2.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 34.1 mt -70.39 -60.6 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.82 109.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -43.32 -55.93 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 3.87 110.988 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 22.0 t0 -71.89 98.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.89 109.263 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 67.9 mmtt -75.8 -54.07 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 2.48 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -54.92 -58.56 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 3.14 109.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.17 36.05 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.65 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -104.92 -12.86 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 1.58 109.307 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.84 8.5 26.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 0.97 110.99 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -135.87 146.9 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 2.29 110.388 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 27' ' ' ILE . 2.1 mp -106.58 88.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.87 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.6 m -52.98 150.14 5.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.89 110.398 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -40.16 -46.39 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.72 110.422 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.45 -42.11 88.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 2.92 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 52.2 mt-10 -55.68 -31.77 62.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 2.13 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.6 tt -66.21 -47.91 72.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 2.74 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.97 -19.18 73.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.59 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 21' ' ' LYS . 63.6 m -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 1.96 110.427 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 36' ' ' MET . 1.8 p -72.27 -50.11 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 3.42 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.501 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 30.7 mmt -42.57 -58.84 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 3.32 110.98 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 34' ' ' THR . 6.6 ppt_? -63.46 -33.75 76.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 5.51 110.269 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -54.09 -24.93 19.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 2.84 110.064 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -79.11 -60.25 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 2.26 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.56 58.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 1.97 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -129.69 -41.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 3.61 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.604 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 61.29 54.97 3.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 2.26 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -176.96 3.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.89 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 1.1 p -112.42 140.77 46.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 2.2 110.358 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.51 -19.66 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.38 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 -58.97 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.71 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.48 -37.27 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.54 110.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.61 -27.67 64.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.83 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.3 tt0 -61.06 -34.56 75.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 2.34 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.59 -34.17 67.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 2.13 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -54.57 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 3.46 110.99 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 2.9 pp -51.53 -32.01 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.76 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.02 -33.8 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 1.82 109.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -60.53 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 2.09 110.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.0 m -51.84 -41.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.69 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 25.2 t70 -46.44 105.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.96 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.17 -57.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.94 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -49.78 -32.31 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.13 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . 101.49 118.38 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 1.09 111.032 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 2.9 p-10 163.37 -58.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 2.74 109.321 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . 135.23 -24.23 3.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 2.02 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.2 m -78.33 170.22 16.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 1.74 110.347 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' CD1' HD12 ' A' ' 32' ' ' LEU . 8.9 mt -103.43 171.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.95 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 2.6 t70 -152.81 157.98 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 2.43 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -49.18 -51.41 57.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 3.3 110.996 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -29.49 8.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.84 110.994 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.93 -55.23 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 2.06 110.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.8 t80 -56.55 -42.71 78.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.22 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -40.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 3.26 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.5 m -70.56 -43.77 68.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 1.61 110.399 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 tpt -46.38 -60.62 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 2.96 110.994 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -59.76 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 3.24 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.47 -57.0 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.62 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -61.02 -38.06 84.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 4.74 110.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.88 -55.93 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 3.66 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -41.86 85.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 4.53 111.033 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -59.95 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 3.17 109.341 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -59.99 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 3.34 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 2.81 110.414 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.275 -0.639 . . . . 3.58 109.275 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -38.29 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 4.33 110.406 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LEU . 7.2 tt0 -49.13 -61.12 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.92 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.06 -33.78 70.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 2.5 110.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 12' ' ' PHE . 2.2 tp-100 -60.58 -60.47 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 3.77 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.87 -19.78 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 4.17 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -60.55 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 2.04 109.275 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.32 -44.43 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 2.83 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-30 -49.98 -31.94 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 3.38 110.997 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -52.71 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 3.36 109.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -30.21 66.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 4.3 110.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.4 91.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 2.01 109.278 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CD2' ' CE2' ' A' ' 65' ' ' PHE . 17.2 t80 -50.92 -38.61 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 2.28 110.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 3.28 110.011 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 6.8 mt -62.56 -61.11 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 2.26 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.04 -30.91 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 5.7 111.014 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 21.5 t0 -105.42 53.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.48 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -47.46 -45.47 25.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 2.75 109.279 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -39.83 -55.75 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 2.08 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.37 9.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.73 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -28.51 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 1.68 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.25 26.91 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.05 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -154.67 119.13 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 2.03 110.415 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.2 mp -82.63 95.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.82 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.9 m -64.7 146.19 55.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.81 110.35 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.0 p -41.96 -39.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.47 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -44.5 96.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.5 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 46.4 mt-10 -65.23 -29.68 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.97 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 4.04 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -71.77 -20.48 78.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.63 110.967 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.453 HG23 ' CD ' ' A' ' 21' ' ' LYS . 53.9 m -70.14 -60.9 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 1.68 110.452 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' ' 19' ' ' PHE . 4.0 p -50.15 -37.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.01 109.325 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 14.9 mmt -48.68 -54.76 13.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 3.02 110.952 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 38' ' ' SER . 4.3 ppt_? -54.54 -28.75 47.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 9.12 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -70.92 -26.85 63.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.97 109.962 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.19 -49.28 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 2.86 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.07 51.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 2.48 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.439 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -166.12 135.59 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 4.31 110.305 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -127.98 68.29 75.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 2.82 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 -172.06 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 1.1 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -106.54 141.09 38.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.87 110.371 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -19.53 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 3.94 110.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . -70.02 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 2.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.43 -41.75 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 2.64 110.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 4.3 mm? -70.45 -28.71 65.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 2.2 109.285 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 52' ' ' ILE . 35.9 tt0 -46.6 -40.32 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 2.67 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -72.39 -32.29 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 2.02 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.5 mmm -70.87 -55.47 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 4.64 111.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -52.44 -33.97 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.94 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' HD11 ' A' ' 52' ' ' ILE . 47.7 t-20 -67.83 -29.7 68.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 2.3 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.26 -59.31 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.34 110.281 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 71' ' ' MET . 2.2 m -57.06 -39.89 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.91 109.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.418 ' OD1' ' CG ' ' A' ' 60' ' ' ASP . 16.5 t70 -50.42 107.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 1.11 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -105.02 -61.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.93 109.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD2' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -40.86 -29.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 2.7 109.308 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 102.54 110.01 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.18 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' OD1' ' A' ' 56' ' ' ASP . 0.2 OUTLIER 167.6 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 2.86 109.322 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.52 -42.55 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 2.54 111.012 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.443 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 46.7 m -61.31 154.19 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 1.84 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 4.1 mt -90.2 160.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 2.07 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -143.37 -171.72 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 3.71 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.41 -48.58 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 3.03 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.01 -33.7 4.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.75 111.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 57' ' ' ALA . 67.9 mt-10 -70.42 -39.57 74.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.57 110.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 1.4 t80 -70.64 -41.97 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 6.46 110.984 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -45.26 89.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 3.4 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -63.15 -36.46 83.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 2.45 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.468 ' CG ' HG12 ' A' ' 55' ' ' VAL . 7.8 tpt -56.88 -60.22 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 4.91 110.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -55.78 -57.07 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 4.64 110.989 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 76' ' ' MET . . . -49.75 -50.57 43.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.73 109.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.0 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 5.45 110.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -62.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 4.77 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -61.87 -21.4 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 5.85 111.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.0 ttmt -62.73 -60.03 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 4.57 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -61.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.26 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 4.55 110.374 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 76' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 4.31 109.281 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 1.2 t -59.13 -19.72 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 2.61 110.356 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.39 -60.99 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 3.05 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.01 -28.04 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.94 110.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 2.3 mp0 -70.81 -60.65 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 5.75 110.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 5' ' ' THR . 1.8 pp -52.64 -21.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 4.11 109.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.4 -61.22 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 2.03 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -72.17 -43.79 64.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.22 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 8' ' ' GLN . 3.7 m-85 -49.46 -36.35 22.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 3.23 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -61.1 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 2.81 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -34.65 69.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.98 110.311 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -60.31 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 2.15 109.328 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 9.07 111.019 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -42.19 -41.48 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 3.38 110.027 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 11.5 mt -70.45 -46.32 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 2.32 109.319 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD2' HG13 ' A' ' 35' ' ' VAL . 73.7 m-85 -59.46 -37.94 79.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 4.16 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.14 100.68 9.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.48 109.338 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 67.9 mmtt -77.48 -58.49 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 2.43 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -44.32 -48.26 9.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 2.2 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.39 31.28 19.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.137 . . . . 1.29 111.024 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -102.88 -33.98 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 2.06 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.02 -19.43 3.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 1.8 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 62' ' ' THR . 86.9 m -103.11 145.28 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 3.42 110.389 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.06 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.88 109.301 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 31' ' ' GLU . 3.4 m -61.08 149.12 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 1.71 110.437 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' THR . 57.9 p -37.2 -36.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.47 110.37 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' THR . 14.9 mtpt -68.64 -52.42 31.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 4.5 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' THR . 35.2 mt-10 -47.05 -31.55 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.94 110.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 63' ' ' ILE . 2.9 tt -70.99 -52.37 20.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 2.55 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -71.38 -18.74 77.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.108 . . . . 0.79 110.989 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' LYS . 87.8 m -68.36 -49.72 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 2.25 110.386 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.603 HG13 ' CD2' ' A' ' 19' ' ' PHE . 8.5 p -71.75 -52.14 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 3.05 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.474 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 41.2 mmm -41.15 -60.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 3.44 111.04 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 6.3 ppt_? -60.21 -33.68 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 4.99 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 3.6 t -60.56 -23.15 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.12 110.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -89.94 41.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 2.81 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.63 -51.56 4.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 2.54 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 74.0 mm-40 -50.25 -178.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 4.81 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.482 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t-20 -165.82 60.84 0.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 2.37 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.63 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -105.66 142.54 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.65 110.414 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -19.75 38.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.62 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.26 -60.28 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.65 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.67 -41.3 70.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 2.19 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -70.89 -23.98 62.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.58 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.5 tt0 -55.49 -36.27 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 2.13 110.247 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.95 -32.03 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.9 109.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -59.4 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 3.51 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 49' ' ' GLN . 2.6 pp -48.42 -46.69 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.59 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' HD13 ' A' ' 52' ' ' ILE . 2.3 m-20 -58.51 -35.02 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 2.82 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.01 -60.0 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.68 110.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.9 m -58.66 -28.21 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.81 109.252 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 55' ' ' VAL . 31.9 t70 -64.93 108.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.97 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -102.56 -52.72 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.5 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -40.49 -30.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 2.03 109.345 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.31 95.47 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.9 110.992 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.11 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 2.54 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 44.08 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 1.25 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 26' ' ' THR . 22.3 m -142.96 168.74 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 1.78 110.425 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.501 HG23 ' CD1' ' A' ' 68' ' ' PHE . 5.0 mt -107.46 170.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.76 109.361 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.425 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.4 t0 -160.63 167.65 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 2.44 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.02 -52.11 68.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 2.89 110.989 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -28.5 9.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.64 111.017 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -70.25 -55.54 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.52 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 2.3 111.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -39.85 -46.98 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 4.12 109.282 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.1 m -64.52 -45.34 87.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.85 110.41 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.469 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.0 tpt -53.45 -60.49 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 3.91 111.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -59.23 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 3.59 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.75 -54.95 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.9 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -61.43 -32.17 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 4.03 110.262 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -60.11 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.67 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.451 ' CE ' HD21 ' A' ' 4' ' ' LEU . 1.9 ptt? -60.23 -20.1 57.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 5.7 110.954 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.85 -57.59 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 3.69 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.19 -57.31 10.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.14 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 4.54 110.376 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 8' ' ' GLN . 1.2 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 3.93 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -48.9 -32.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 2.72 110.377 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.3 -43.57 85.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 2.49 110.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -44.28 71.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.99 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 4' ' ' LEU . 16.2 mm100 -66.93 -57.45 6.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 3.55 110.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 5' ' ' THR . 7.3 mm -41.54 -45.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 4.11 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -53.5 28.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 1.86 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.42 -46.55 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 2.53 110.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -22.97 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.54 110.986 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.25 -60.13 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 4.09 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.02 -33.37 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 3.24 110.338 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.56 93.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.79 109.268 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 41.9 t80 -38.62 -44.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 2.24 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -51.17 -60.06 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 2.22 109.983 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.6 mt -52.19 -52.63 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.94 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD1' HG23 ' A' ' 35' ' ' VAL . 37.5 m-85 -57.0 -29.54 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 4.45 111.0 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 2.3 t0 -75.96 91.32 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 2.31 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.527 ' CG ' ' HG3' ' A' ' 31' ' ' GLU . 51.8 mmtt -91.12 19.34 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 2.72 109.269 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -146.66 -51.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 2.34 109.309 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 41.48 6.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 0.7 111.028 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -22.22 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 1.68 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.4 8.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.85 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -144.93 130.57 18.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 2.12 110.333 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.505 ' CD1' ' OE2' ' A' ' 31' ' ' GLU . 18.1 mm -87.91 83.86 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 3.38 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -47.39 149.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.87 110.428 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 61' ' ' GLY . 48.5 p -50.96 -56.09 14.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.69 110.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -26.09 68.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 3.12 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 19.5 tt0 -70.31 -33.69 71.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 3.21 110.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 52' ' ' ILE . 1.6 tp -67.8 -38.3 83.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 3.59 109.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -25.84 72.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.57 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -61.28 -55.22 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 1.53 110.38 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG23 ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -50.77 -53.52 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 2.29 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.87 -42.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 3.12 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -50.1 -50.17 49.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 4.63 110.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -22.51 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.9 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -91.89 27.36 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 2.93 109.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.33 60.95 1.88 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.149 . . . . 1.76 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.4 -43.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 3.85 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 48.67 60.79 15.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.71 109.318 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.95 -174.57 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.92 110.985 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.17 138.57 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.93 110.451 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.28 -19.4 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.39 110.299 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.39 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.71 109.332 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.75 -39.13 84.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 2.12 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -70.43 -22.93 62.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 1.85 109.255 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.71 -37.77 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 2.7 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -71.42 -33.38 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.99 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.6 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 4.65 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -47.68 -48.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 1.82 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.549 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 47.4 t30 -66.34 -31.07 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 2.6 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -59.48 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.96 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 14.8 m -59.81 -40.73 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.67 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 24.6 t70 -57.43 109.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.76 109.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -99.67 -52.33 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.7 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -42.97 -29.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 2.19 109.333 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 89.73 114.86 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.095 . . . . 0.76 111.032 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' THR . 1.9 p30 172.03 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 2.76 109.256 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 116.29 46.62 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 1.31 111.026 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 32.2 m -152.92 158.09 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 1.79 110.372 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 HD13 ' CD2' ' A' ' 32' ' ' LEU . 11.8 mt -97.22 169.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.78 109.291 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 29.6 t0 -156.9 175.44 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 2.63 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -57.86 -52.29 75.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 2.97 111.016 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.97 -31.99 5.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.59 111.042 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -56.44 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.53 110.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.407 ' HE2' ' CE1' ' A' ' 19' ' ' PHE . 1.9 t80 -59.36 -41.23 88.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 2.21 110.972 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -51.96 25.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 2.76 109.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -50.49 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 1.81 110.392 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.474 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 tmt? -47.64 -60.45 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.26 111.017 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.407 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -58.01 -59.75 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 3.38 110.999 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.09 -54.57 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 1.69 109.276 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -41.32 96.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 5.28 110.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -59.84 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 3.68 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.1 65.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 4.94 111.003 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -54.88 -57.6 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 3.7 109.319 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.34 -60.38 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.6 109.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 4.37 110.427 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 2.8 pp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.638 . . . . 3.42 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.7 m -71.5 -38.02 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 2.71 110.397 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.19 -60.17 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 2.87 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 8' ' ' GLN . 1.6 pt-20 -64.63 -32.85 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.61 110.319 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 3.2 tp-100 -66.51 -57.71 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 3.32 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.43 -34.92 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 3.49 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.83 -58.59 4.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 1.36 109.322 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.38 -47.04 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.31 110.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -45.96 55.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 2.77 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.17 -60.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 3.59 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -71.21 -51.12 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.95 110.332 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -42.89 -46.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.7 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 62.1 t80 -35.29 -53.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 2.33 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' PHE . 3.2 t -38.16 -48.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.98 110.04 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.523 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 96.1 mt -70.7 -60.5 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.77 109.307 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.7 m-85 -41.94 -45.24 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 4.51 110.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -85.2 96.41 9.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 1.21 109.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 69.8 mmtt -75.89 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 2.77 109.331 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.7 p-10 -55.25 -44.7 75.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 4.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 82.73 36.31 16.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.75 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.69 -17.96 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 2.31 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.08 -4.08 14.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.96 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 p -133.84 143.75 48.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 2.31 110.414 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.5 mp -91.74 87.06 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.06 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 1.8 m -52.14 149.74 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.71 110.444 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 61.2 p -44.64 -51.69 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 1.73 110.408 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.56 -35.77 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 2.94 109.235 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 28' ' ' THR . 62.2 mt-10 -65.78 -29.91 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.94 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 63' ' ' ILE . 6.0 tt -63.0 -47.43 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 2.95 109.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.31 -22.59 67.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.68 111.042 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 24.3 m -61.76 -46.03 91.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 1.88 110.369 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 23.1 t -70.9 -54.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 2.54 109.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.1 mmt -39.67 -60.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 2.88 111.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 38' ' ' SER . 1.3 ppt_? -61.84 -35.02 77.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 5.68 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.429 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 2.4 t -46.74 -25.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.98 110.026 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.02 -60.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.6 109.361 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.47 59.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 1.83 111.073 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -130.28 -49.17 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 4.71 110.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 63.82 58.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 2.27 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 -177.66 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.68 110.986 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.5 137.83 41.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 1.59 110.402 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.72 -22.01 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.4 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.34 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.6 109.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.84 -42.83 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.48 110.294 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -70.35 -24.31 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 2.22 109.323 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 34.1 tt0 -57.22 -36.3 70.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 3.2 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -71.81 -32.79 67.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 2.02 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.0 mmm -70.29 -56.01 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 3.63 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 32' ' ' LEU . 2.9 pp -50.64 -37.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.66 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.428 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -66.23 -32.95 74.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 2.92 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.97 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -55.77 -44.98 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.59 109.31 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 33.1 t70 -55.54 108.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.81 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.66 -44.43 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 2.2 109.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.3 p30 -46.76 -28.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 2.04 109.348 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' OD1' ' A' ' 60' ' ' ASP . . . 93.66 108.77 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.75 110.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 170.24 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 2.27 109.314 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.62 41.02 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 1.21 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.7 m -139.09 165.23 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 1.85 110.412 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 64' ' ' ASP . 1.6 mt -98.7 164.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 1.84 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.5 t0 -151.41 158.79 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 2.39 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -51.17 -50.14 77.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 3.17 111.013 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -28.14 9.36 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.71 110.998 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.97 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 1.59 110.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' HE2' ' CE1' ' A' ' 19' ' ' PHE . 2.5 t80 -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 2.14 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -44.26 48.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.76 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -66.96 -42.67 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 1.77 110.383 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.62 -60.35 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 3.26 111.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -60.24 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 3.67 110.975 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -42.94 -57.68 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.71 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -61.07 -35.11 76.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.77 110.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.45 -59.16 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 3.24 109.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 22.5 ptm -60.0 -31.62 70.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 4.09 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' MET . 8.4 tttm -60.8 -59.94 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 3.27 109.319 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.6 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 3.42 109.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.67 110.441 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 3.3 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.3 m -56.85 -24.04 48.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 2.68 110.365 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 tt0 -66.19 -57.93 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 2.56 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.26 -27.16 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.1 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 3.4 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.3 pp -51.41 -33.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 4.4 109.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.85 -59.82 3.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.58 109.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.81 -46.16 63.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 2.4 110.276 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.86 -36.58 38.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 2.45 110.96 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -53.41 -59.3 4.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.91 109.288 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.32 -36.91 77.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 3.39 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -59.44 -46.63 88.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.52 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.4 t80 -36.71 -46.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 2.22 110.989 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -46.48 -46.88 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 2.88 110.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 79.4 mt -69.19 -60.84 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.91 109.322 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 20.1 m-85 -43.59 -43.83 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.88 110.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.49 97.88 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.02 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 66.6 mmtt -77.33 -54.74 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 2.65 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.6 p30 -56.65 -46.1 81.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 3.91 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 80.4 40.05 13.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.81 110.948 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -106.85 -14.79 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 1.38 109.34 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 2.88 21.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.85 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.54 136.94 45.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 2.33 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.9 mp -94.38 84.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.86 109.268 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -51.21 152.26 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.75 110.434 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.477 HG23 ' CD1' ' A' ' 52' ' ' ILE . 44.2 p -50.36 -49.82 53.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.61 110.366 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.48 71.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 3.36 109.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 53.2 mt-10 -70.4 -31.61 68.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 2.16 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 52' ' ' ILE . 19.1 tp -61.35 -47.86 83.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 3.5 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -72.48 -18.96 78.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.45 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 54.6 m -69.59 -49.36 54.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 1.66 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' HB ' ' CE ' ' A' ' 21' ' ' LYS . 7.2 p -68.12 -44.7 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 3.35 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.444 ' N ' HG11 ' A' ' 35' ' ' VAL . 7.0 mmt -53.22 -60.45 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 2.93 110.981 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 7.8 ppt_? -62.19 -31.16 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 5.53 110.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -56.92 -32.3 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.61 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.03 -35.03 79.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.24 109.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.74 -26.72 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 1.74 110.995 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 2.3 mm-40 -69.09 -173.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 3.59 110.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -168.18 58.06 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.84 109.258 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -75.04 -178.54 4.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.64 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -103.17 148.86 25.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 1.33 110.385 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -67.33 -19.91 65.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 3.37 110.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.26 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.6 109.309 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.91 -43.86 66.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.74 110.294 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.0 mm? -71.18 -20.19 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.88 109.308 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 52' ' ' ILE . 40.3 tt0 -58.82 -36.45 74.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 2.05 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.28 -28.55 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.91 109.272 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.02 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 3.35 111.022 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 29' ' ' THR . 2.5 pp -48.92 -43.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 1.82 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' N ' HD13 ' A' ' 52' ' ' ILE . 28.5 t30 -66.97 -32.16 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.73 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -58.92 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 2.01 110.316 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.7 m -58.02 -45.71 88.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 1.9 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 29.3 t70 -47.36 100.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.72 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.57 -57.67 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.75 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.83 -32.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 2.53 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 105.3 116.05 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 1.72 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 163.03 -75.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 3.42 109.292 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 60' ' ' ASP . . . 151.12 -43.53 0.7 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 2.31 111.062 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 8.4 m -58.83 172.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 2.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 68' ' ' PHE . 3.2 mt -114.85 109.38 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 2.13 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.598 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 11.8 m-20 -83.39 -172.11 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 3.04 109.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.3 t80 -72.52 -45.52 9.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 4.68 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.4 Cg_endo -74.93 -24.43 12.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.92 111.038 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.0 -54.81 9.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 1.83 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 63' ' ' ILE . 1.1 t80 -61.91 -41.86 98.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 2.18 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -52.29 9.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 3.97 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -63.17 -50.87 68.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 1.98 110.33 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -43.28 -60.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 3.32 110.992 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -56.42 -59.32 5.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.48 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.7 -57.91 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.9 109.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -60.72 -41.01 94.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 4.78 110.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -41.22 -53.38 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 2.77 109.294 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -42.79 88.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 5.3 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -59.8 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 4.11 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -61.36 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.61 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 3.35 110.403 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.276 -0.638 . . . . 3.19 109.276 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -70.81 -38.33 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 3.49 110.435 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -58.01 -51.62 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 2.88 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 8' ' ' GLN . 5.0 pt-20 -67.08 -33.79 76.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.1 110.31 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 11.8 mm100 -70.27 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 3.24 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -19.6 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 4.21 109.308 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.62 -60.79 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 2.11 109.288 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.46 -44.57 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.45 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.2 -22.61 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.69 111.03 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -60.88 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.68 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.11 -36.22 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 3.18 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . . . -59.4 -40.66 87.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 2.13 109.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 44.8 t80 -39.69 -51.24 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 2.31 111.02 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -44.4 3.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 1.95 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.51 -58.26 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.74 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 23.2 m-30 -45.95 -39.36 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 4.13 111.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -92.35 97.66 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.89 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.06 -59.76 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.45 109.283 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -45.55 -57.87 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 2.29 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 34.76 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.75 110.974 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 1.8 p30 -110.69 -41.74 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.737 . . . . 1.54 109.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 137.59 40.75 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 1.04 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 1.1 p -162.77 137.32 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 2.11 110.403 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 27' ' ' ILE . 2.6 mp -97.75 86.1 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 2.14 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.7 m -47.69 141.86 5.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.97 110.371 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p -41.8 -51.42 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.71 110.399 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.39 84.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 3.36 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' THR . 39.3 mt-10 -65.2 -28.06 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 2.38 110.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' A' ' 48' ' ' LEU . 1.4 tm? -65.92 -39.62 90.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 3.6 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.61 -24.7 75.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.51 110.98 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -63.23 -51.08 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 1.78 110.402 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 61.5 t -54.55 -49.93 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 2.68 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.7 mmt -37.75 -55.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 2.54 111.019 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.3 mtm180 -50.4 -46.69 56.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 4.32 110.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -25.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 2.42 109.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -87.9 -47.39 8.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 2.41 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' N ' HE21 ' A' ' 41' ' ' GLN . . . 137.33 43.95 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 2.1 111.011 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.408 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -148.9 145.74 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 4.56 110.292 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -125.99 71.99 69.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 2.51 109.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.95 174.22 13.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.7 111.036 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -97.94 145.39 26.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 1.9 110.414 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -19.97 65.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.81 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.45 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.83 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.07 -40.73 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.98 110.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' A' ' 32' ' ' LEU . 4.2 mm? -71.0 -28.75 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.66 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 44.2 tt0 -49.31 -38.55 28.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 2.44 110.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -71.18 -30.18 66.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.06 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.6 mmt -70.44 -59.86 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.15 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.535 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.46 -49.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.76 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.535 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 24.0 t-20 -65.36 -32.57 74.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 1.8 109.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.51 -60.02 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.76 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 22.8 m -58.04 -44.79 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.58 109.31 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASP . 10.5 t0 -53.22 110.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.57 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.09 -55.11 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 1.35 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -43.59 -34.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.26 109.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 98.17 107.75 2.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.9 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -170.32 -56.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 2.7 109.304 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 30.84 1.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 1.29 110.974 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -147.77 161.56 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 2.26 110.405 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 64' ' ' ASP . 3.8 mt -90.65 159.7 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.83 109.263 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.8 m-20 -140.91 -173.89 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.61 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.91 -49.11 10.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.91 110.986 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.01 -29.45 8.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.58 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -70.29 -60.14 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 1.9 110.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.1 t80 -56.25 -36.69 68.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 2.21 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -50.28 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 2.71 109.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -70.4 -48.61 55.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 2.37 110.366 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.445 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -43.13 -59.8 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 4.05 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -56.43 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 3.5 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.35 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 1.93 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -60.88 -38.68 86.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 4.51 110.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -58.49 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 4.08 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -43.76 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 5.44 111.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -52.33 66.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 3.28 109.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -58.73 7.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 2.56 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 4.44 110.394 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.328 -0.619 . . . . 5.45 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 13.6 t0 88.45 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 7.33 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' C ' ' N ' ' A' ' 5' ' ' THR . 3.4 mt-30 -140.69 33.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 9.65 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER 40.43 28.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 3.33 109.272 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 3' ' ' GLN . 2.2 m -71.67 -29.85 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 2.63 110.376 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.81 -60.82 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 3.45 110.346 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -56.19 -37.01 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 2.59 110.303 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.414 ' CG ' HD11 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.32 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 3.7 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -45.08 -41.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 3.89 109.337 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.18 -58.85 4.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.77 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.43 -45.15 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 2.6 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -52.42 -28.14 18.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 2.45 110.982 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -66.23 -55.25 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.64 109.286 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.21 -35.03 71.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 3.29 110.304 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . . . -66.52 -46.64 75.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 2.11 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CG ' ' CE2' ' A' ' 65' ' ' PHE . 14.3 t80 -37.6 -39.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 2.49 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -51.29 -48.64 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 3.23 110.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 14.6 mt -70.13 -59.97 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.72 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 19.2 m-85 -42.17 -35.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 3.92 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.04 89.98 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.1 109.274 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' CD ' HG21 ' A' ' 34' ' ' THR . 55.2 mmtt -73.7 -58.92 2.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 2.41 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 20.6 p-10 -55.39 -48.98 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 3.98 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 89.73 42.46 5.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.155 . . . . 0.84 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' OD1' ' OD2' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -115.85 11.65 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 2.28 109.321 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.75 -12.95 55.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 1.28 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.5 m -111.48 142.27 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 2.84 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.61 103.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.77 109.307 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.1 m -76.43 152.13 36.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 1.71 110.411 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' HG12 ' A' ' 52' ' ' ILE . 62.1 p -37.69 -40.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.85 110.412 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -64.99 -51.63 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 4.7 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 34.4 mt-10 -49.38 -34.84 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 2.27 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -70.95 -56.56 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.86 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.35 -21.04 59.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.52 111.001 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.478 HG21 ' CD ' ' A' ' 21' ' ' LYS . 91.9 m -67.88 -53.68 24.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 1.69 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 40.1 t -57.11 -53.46 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 2.36 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.76 -43.92 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 3.53 110.977 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mtt180 -58.76 -44.86 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 5.21 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -53.4 -19.83 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.13 109.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.5 mt -89.22 16.37 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 2.51 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 88.8 -41.93 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 2.26 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -49.95 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 4.63 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -154.39 64.83 4.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.78 109.3 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.95 169.07 23.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.78 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -112.26 143.24 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.86 110.444 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -20.73 9.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 2.63 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.74 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 1.76 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -38.62 73.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 2.09 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 48' ' ' LEU . 4.3 mm? -70.84 -24.72 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 1.86 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.54 -35.65 72.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 2.33 110.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.88 -33.85 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.77 109.323 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.3 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 4.62 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 63' ' ' ILE . 2.8 pp -47.97 -46.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.66 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 54.5 t30 -62.34 -34.13 76.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 2.8 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -59.95 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.19 110.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG1' ' HG3' ' A' ' 71' ' ' MET . 20.6 m -58.31 -48.62 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.91 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -43.88 108.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.78 109.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.44 -57.18 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 2.04 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -39.5 -35.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 2.08 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.58 109.63 2.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.91 111.056 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 3.0 p30 176.88 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 2.81 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 119.36 45.51 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 1.29 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -152.88 166.35 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 1.69 110.437 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 52' ' ' ILE . 1.2 mt -106.54 178.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 2.13 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.484 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 35.1 m-20 -166.88 176.77 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 3.14 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.84 -50.77 86.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 3.22 110.986 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.786 . . . . 0.7 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.94 -60.52 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.53 110.265 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 1.5 t80 -51.82 -45.58 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 2.18 110.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -43.58 -45.55 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 2.68 109.302 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -64.0 -46.73 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.77 110.431 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.419 ' HG3' ' CG1' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -51.1 -59.85 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 3.89 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.0 -55.08 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 4.54 111.02 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.85 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.58 109.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -20.62 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 4.95 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.63 -57.58 11.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 3.25 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -61.35 -26.99 68.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 6.31 110.983 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.1 tppp? -60.61 -55.53 32.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 3.32 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -59.99 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.86 109.359 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 3.5 110.391 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.275 -0.639 . . . . 6.44 109.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.28 35.65 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 6.29 109.316 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.81 -49.94 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 7.2 110.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -175.61 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 3.81 109.301 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.518 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 3.4 m -37.47 -32.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 2.64 110.414 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.4 tt0 -62.52 -60.36 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 2.38 110.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.71 -28.31 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 2.41 110.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.11 -59.53 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 4.42 110.324 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.0 pp -55.35 -19.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 4.45 109.265 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.47 109.303 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.5 -44.86 63.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 2.66 110.257 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.2 -32.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 2.54 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -57.61 -59.38 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 3.11 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -31.53 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 3.99 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.28 90.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 1.77 109.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -39.06 -42.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 2.3 111.041 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -49.59 -53.87 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 2.58 109.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -67.89 -59.91 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.53 109.26 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -42.09 -45.84 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 3.95 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.04 100.06 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.08 109.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 55.4 mmtt -73.84 -57.84 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 2.4 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -51.0 -65.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 2.56 109.3 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.59 41.99 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.76 110.995 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -111.2 -21.4 11.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 1.48 109.328 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 116.79 32.49 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.95 111.058 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 5.2 p -158.94 128.25 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 2.09 110.434 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.0 mp -88.8 79.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.02 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m -52.29 154.34 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 2.05 110.431 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.469 ' CG2' HG12 ' A' ' 52' ' ' ILE . 45.0 p -45.08 -43.76 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.71 110.4 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -63.0 -41.95 99.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 3.25 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.51 -41.72 81.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 2.03 110.288 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -63.53 -44.18 94.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 2.85 109.347 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.18 -23.72 77.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.65 110.982 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.2 m -69.91 -60.19 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 1.69 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 36' ' ' MET . 11.8 p -50.7 -51.93 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 3.4 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.478 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 8.5 mmm -41.64 -45.41 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 3.9 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -61.36 -46.36 90.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 4.08 110.349 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 t -57.71 -19.15 25.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.9 110.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.93 23.57 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 2.19 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.26 -46.23 3.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.525 1.141 . . . . 1.99 111.028 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.59 -174.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 4.19 110.302 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t-20 -163.65 60.6 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.82 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.99 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.83 111.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -102.0 152.57 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.48 110.383 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.1 -19.33 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 3.02 110.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -60.22 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.73 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.19 -38.13 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 2.22 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 48' ' ' LEU . 4.0 mm? -70.76 -29.08 65.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.5 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -53.52 -36.97 62.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 3.04 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -35.09 71.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 2.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -53.82 12.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 3.42 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.5 pp -52.86 -41.42 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 1.66 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.536 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 37.4 t30 -67.35 -30.94 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 2.32 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.67 -57.92 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 2.73 110.241 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.83 -37.26 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.79 109.355 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.12 109.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.84 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 -54.24 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.31 109.257 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 20.3 p-10 -45.8 -31.71 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 2.68 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 107.36 1.45 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.14 . . . . 0.73 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.9 p30 176.26 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.87 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.29 42.42 0.7 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 1.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 21.4 m -140.39 167.06 23.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 1.78 110.396 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.508 HG21 ' CD1' ' A' ' 68' ' ' PHE . 2.5 mt -107.48 165.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.95 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 29.7 t0 -158.04 177.49 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 2.77 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.07 -50.58 83.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 3.6 111.023 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.07 -28.68 8.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.79 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.4 -59.8 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.53 110.309 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.62 -38.63 81.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 2.32 110.961 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -52.93 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 2.99 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -65.88 -50.34 64.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 1.79 110.426 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -60.91 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.138 . . . . 3.35 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . 7.2 tpt -60.54 -60.18 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 3.39 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.08 -58.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.71 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.49 -33.66 72.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 5.32 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -46.79 -59.15 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 3.49 109.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.3 -42.62 66.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 4.49 111.001 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -60.08 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 3.92 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.94 -61.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 2.84 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 2.68 110.369 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 6.46 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.65 26.06 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 6.23 109.294 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 1.4 tt0 -125.69 -57.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 6.78 110.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -176.68 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 3.76 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.478 ' N ' HD23 ' A' ' 4' ' ' LEU . 12.6 p -37.58 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 3.63 110.389 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 3.2 tm-20 -62.59 -57.57 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.11 110.317 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -69.79 -36.98 76.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 2.14 110.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -64.44 -54.16 36.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 3.77 110.239 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 5' ' ' THR . 6.6 mm -49.89 -39.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 3.53 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.95 11.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.78 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.97 -47.33 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.92 110.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -47.35 -39.6 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 2.93 111.017 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -58.05 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 3.77 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -38.2 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 3.58 110.354 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -56.07 -48.7 75.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.78 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.758 ' CD1' ' CE2' ' A' ' 65' ' ' PHE . 60.2 t80 -37.3 -52.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 2.38 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -56.18 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.98 109.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.02 -52.69 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.9 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 16.7 t80 -42.72 -41.04 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 6.99 110.989 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.75 102.97 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 1.09 109.278 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 65.4 mmtt -75.58 -43.66 47.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 2.46 109.264 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.18 -48.16 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 2.52 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.35 44.17 5.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.78 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.4 p30 -120.45 29.6 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 2.01 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.92 44.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.99 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -137.45 123.81 20.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.805 . . . . 2.31 110.388 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.4 mp -99.68 94.02 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 2.12 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -57.63 151.79 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.87 110.433 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.457 ' CG2' HG12 ' A' ' 52' ' ' ILE . 67.5 p -43.43 -52.2 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.97 110.435 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.24 -39.09 85.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 3.46 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 2.8 mt-10 -56.07 -31.84 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 1.67 110.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.7 tt -66.33 -51.72 54.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 2.54 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.66 -26.48 60.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.62 111.009 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -63.18 -44.82 94.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 1.64 110.394 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 31.3 t -68.89 -50.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 2.56 109.26 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.437 ' CG ' HD22 ' A' ' 32' ' ' LEU . 10.4 mmt -49.61 -60.25 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 3.12 110.968 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -62.61 -35.27 79.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 4.3 110.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -53.83 -21.58 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 3.54 110.001 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.89 -70.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.45 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.64 34.8 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 1.74 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -133.93 -173.19 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 3.21 110.32 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -166.39 61.67 0.68 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 2.22 109.338 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.58 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -100.03 151.03 21.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.94 110.398 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.7 -21.5 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.91 110.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.32 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 1.79 109.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.18 -40.88 62.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.63 110.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 4.3 mm? -70.45 -29.84 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.58 109.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.39 -38.05 65.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 2.82 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.68 -33.29 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.88 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 mtt -70.53 -54.97 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 4.25 111.031 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 32' ' ' LEU . 2.7 pp -51.99 -33.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 1.78 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.421 ' N ' HD13 ' A' ' 52' ' ' ILE . 1.3 t30 -61.46 -33.49 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 2.72 109.346 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.97 -58.5 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.13 110.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m -57.8 -39.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.75 109.27 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.74 109.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.02 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.02 -57.35 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -43.01 -34.76 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.83 109.294 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.71 105.13 2.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.89 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 168.3 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 2.73 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.58 -50.57 0.58 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.491 1.12 . . . . 2.73 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 63' ' ' ILE . 99.4 m -51.76 162.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 1.83 110.41 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 32' ' ' LEU . 1.7 mt -102.58 178.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 2.2 109.276 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 65' ' ' PHE . 14.9 t0 -152.63 177.77 10.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 2.85 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.758 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -61.93 -52.98 64.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 3.35 110.953 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.82 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE1' ' OD2' ' A' ' 58' ' ' ASP . 38.4 mt-10 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.85 110.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 1.2 t80 -64.76 -45.21 87.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 2.81 110.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.96 -33.16 36.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 2.96 109.3 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -71.59 -33.22 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.95 110.4 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -59.75 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 3.71 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.454 ' CE ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.53 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 8.22 110.987 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' N ' ' SD ' ' A' ' 72' ' ' MET . . . -60.58 -55.85 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.94 109.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 5.15 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -59.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 4.33 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.6 mtt -53.57 -42.42 67.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 3.91 111.0 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 3.02 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -59.96 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 3.84 109.353 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 3.02 110.395 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.278 -0.638 . . . . 5.84 109.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.35 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 6.21 109.336 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 2.3 mt-30 -140.06 -72.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 7.51 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -173.35 32.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 3.87 109.334 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 m -71.68 -58.87 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 3.1 110.39 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.3 -52.43 63.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 3.15 110.328 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.72 -49.55 62.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 3.86 110.285 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.465 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.3 mm-40 -66.24 -57.12 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 3.35 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 16.7 mm -39.42 -39.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 3.52 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.42 -57.29 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 2.07 109.268 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.36 -48.16 68.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 2.79 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 72' ' ' MET . 1.2 m-85 -53.99 -45.68 71.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 2.5 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -60.43 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 3.78 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.63 -50.72 56.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 3.26 110.273 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . . . -46.01 -46.52 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 1.75 109.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.2 t80 -36.28 -45.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 2.52 111.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.67 -53.37 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 2.13 110.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' ALA . 77.2 mt -70.82 -56.27 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.99 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 3.0 m-85 -45.37 -42.55 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 4.33 111.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -89.64 99.68 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.98 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 35' ' ' VAL . 66.3 mmtt -71.73 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 2.5 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.35 -53.26 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 2.37 109.32 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.91 33.74 6.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.81 110.946 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -108.45 9.48 27.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.84 109.315 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.84 50.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.67 110.99 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 62' ' ' THR . 4.4 m -102.62 136.51 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 2.75 110.388 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.14 94.31 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.71 109.352 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 29' ' ' THR . 20.3 m -62.95 157.21 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.84 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.474 HG23 ' CD1' ' A' ' 52' ' ' ILE . 44.0 p -53.23 -50.49 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.59 110.402 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.78 -36.96 72.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 3.23 109.289 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.52 -32.72 73.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.66 110.329 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 48' ' ' LEU . 1.9 tt -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 2.62 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.58 -19.34 70.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.51 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -69.56 -42.41 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 1.83 110.391 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 22.0 t -70.79 -51.29 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.54 109.37 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -43.54 -60.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 3.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -61.29 -39.36 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 5.42 110.29 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.38 -26.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 2.25 110.005 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.68 -44.01 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 2.2 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 164.59 -32.16 0.25 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.105 . . . . 1.66 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.06 -172.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 3.65 110.261 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 t-20 -167.51 60.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.97 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.07 173.62 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.67 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 p -100.97 150.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 1.43 110.385 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.38 -19.93 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 2.68 110.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.34 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 1.66 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -51.56 -42.84 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 3.23 110.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.0 mm? -70.51 -23.79 62.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 1.63 109.338 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.4 -36.33 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 3.5 110.3 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -71.13 -33.83 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.81 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -70.56 -56.74 5.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 3.6 111.039 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 29' ' ' THR . 2.6 pp -51.51 -39.51 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.81 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.422 ' N ' HD13 ' A' ' 52' ' ' ILE . 18.3 t30 -64.93 -32.49 74.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.15 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -70.59 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 2.99 110.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.9 m -58.83 -44.04 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 2.01 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.79 107.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.86 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -105.74 -46.87 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.46 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -41.76 -30.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 2.48 109.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 95.09 99.31 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.94 111.009 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 176.22 -67.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 2.22 109.342 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.93 43.91 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 1.17 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.471 HG22 ' CG2' ' A' ' 26' ' ' THR . 17.7 m -140.18 173.3 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 1.62 110.412 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 68' ' ' PHE . 15.8 mt -108.72 170.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.73 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 17.7 t0 -163.24 171.61 15.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.7 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -55.03 -50.84 84.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 3.5 110.998 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -31.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.81 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.27 -60.43 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 2.02 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CD1' HG23 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -54.82 -34.09 62.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 2.19 111.031 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -51.0 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 3.57 109.287 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.1 m -67.36 -42.92 82.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 2.11 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.0 tpt -50.81 -60.51 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 3.03 110.992 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -56.15 -60.12 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 3.53 111.009 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -44.92 -56.1 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.8 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -60.53 -32.11 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 6.59 110.279 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -59.3 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 4.03 109.252 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 3.7 ptm -60.31 -25.37 65.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 4.42 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -59.35 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 4.17 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -44.78 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 5.05 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 3.7 110.407 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.299 -0.63 . . . . 6.54 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 55.05 19.88 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 7.33 109.285 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -37.62 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 9.28 110.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -126.81 -43.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 3.4 109.308 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 3.0 p -53.55 -45.35 69.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 4.41 110.452 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.66 -43.48 93.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 3.86 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 3.09 110.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.4 pt20 -49.62 -40.09 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 7.53 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 5' ' ' THR . 11.6 mm -70.46 -29.16 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 4.03 109.315 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.3 77.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.89 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.92 -47.64 57.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 4.6 110.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 10.5 m-85 -57.62 -28.41 63.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 3.66 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -60.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 2.99 109.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.93 -32.77 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 5.69 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -66.87 -56.25 11.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 2.07 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 40.5 t80 -36.55 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 2.33 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.23 -53.48 56.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.78 110.008 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.2 mt -70.26 -51.31 31.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 2.12 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 23.3 m-85 -55.51 -35.8 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 5.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 27.9 t0 -96.59 39.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.68 109.285 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -38.14 -45.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 2.64 109.279 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -49.34 -53.46 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 2.28 109.315 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 88.02 39.81 6.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.137 . . . . 0.81 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' OD2' ' OG1' ' A' ' 26' ' ' THR . 0.9 OUTLIER -112.14 -35.71 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 2.7 109.336 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.77 -4.65 5.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.15 . . . . 0.98 111.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' ' 24' ' ' ASP . 26.6 p -122.31 149.62 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 2.17 110.438 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.7 mp -104.25 77.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.96 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.3 m -45.63 141.83 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 1.76 110.418 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 p -41.87 -36.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 1.78 110.449 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 34' ' ' THR . 16.0 pttp -62.73 -47.11 85.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 5.25 109.328 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' THR . 41.3 mt-10 -62.58 -31.22 72.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.79 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 48' ' ' LEU . 1.7 tm? -63.52 -53.18 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 3.51 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' N ' HD11 ' A' ' 32' ' ' LEU . . . -71.08 -28.5 70.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.48 110.976 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 47.9 m -62.26 -49.09 77.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 1.62 110.389 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 47.7 t -57.5 -50.01 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.54 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' VAL . 12.0 mmt -37.06 -54.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 2.68 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -49.44 -48.34 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 6.29 110.311 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -45.88 -29.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.98 109.946 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 88.0 mt -89.45 -33.68 16.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 2.09 109.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 142.58 -48.98 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.91 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.424 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -49.86 139.34 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 5.6 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.8 m120 -132.02 64.03 70.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 4.08 109.273 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.0 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.777 . . . . 0.88 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -109.05 141.43 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.29 110.367 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -19.8 35.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 3.03 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -57.73 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.64 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.24 -43.54 70.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.97 110.316 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 32' ' ' LEU . 3.9 mm? -70.86 -24.49 62.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.72 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.7 tt0 -51.39 -37.76 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 3.2 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.37 -32.17 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.87 109.276 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.7 -57.97 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 4.72 111.034 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 49' ' ' GLN . 2.8 pp -49.64 -43.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.82 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.0 -33.01 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.77 109.271 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.29 -60.19 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 2.33 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -56.65 -46.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.56 109.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 10.4 t70 -50.48 108.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.77 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.42 -58.16 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 2.11 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 1.2 p30 -39.86 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 2.16 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 101.71 1.82 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.81 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 2.75 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.81 23.3 3.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 1.29 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 39.1 m -135.75 161.02 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 2.01 110.376 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG21 ' CD1' ' A' ' 68' ' ' PHE . 8.6 mt -89.35 168.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.78 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 63' ' ' ILE . 5.8 t0 -151.33 174.25 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.35 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -62.26 -52.31 67.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 3.17 110.984 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -26.47 10.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.63 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -70.39 -60.35 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.54 110.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -55.36 -39.88 70.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.36 111.028 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -47.96 -43.44 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 3.31 109.324 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 3.0 m -71.11 -41.0 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.9 110.392 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.03 -60.14 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 3.83 110.988 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -60.47 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 3.7 111.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.52 -56.88 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 1.78 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -60.84 -40.25 92.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 5.06 110.302 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -59.33 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 2.69 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -43.64 55.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 4.27 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -56.95 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 3.13 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -62.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 2.8 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 2.52 110.427 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.256 -0.646 . . . . 9.49 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -46.76 86.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 6.39 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' THR . 7.5 pm0 -141.59 20.64 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 10.16 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' C ' ' N ' ' A' ' 6' ' ' GLU . 3.4 tm? 69.69 -61.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 3.21 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 9' ' ' ILE . 17.0 m -45.47 -24.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 3.28 110.398 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.6 tt0 -56.43 -61.49 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.75 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -32.64 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 2.28 110.322 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 1.4 tp60 -63.51 -49.64 72.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 4.2 110.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 5' ' ' THR . 5.7 mt -49.3 -46.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 3.63 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.83 -47.85 42.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 1.5 109.304 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.91 -49.26 47.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 2.51 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 8' ' ' GLN . 15.3 m-85 -55.56 -44.95 77.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 4.36 111.052 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 4.48 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ALA . 2.0 mm-40 -71.7 -56.25 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 3.63 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . . . -39.35 -46.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 2.05 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 64.5 t80 -34.38 -57.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 2.36 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' PHE . 1.1 t -37.55 -47.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.99 109.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.0 mt -70.28 -58.21 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 2.18 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 17.4 m-85 -44.14 -54.35 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 4.02 110.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -76.28 97.76 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.92 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' CE ' HG22 ' A' ' 35' ' ' VAL . 62.5 mmtt -74.35 -55.17 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 2.32 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.75 -58.48 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 2.23 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.67 36.28 4.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.7 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.75 -38.66 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 1.76 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 129.93 39.68 0.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.95 111.05 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 10.1 p -158.8 123.24 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 2.14 110.399 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 27' ' ' ILE . 2.4 mp -86.73 79.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 2.07 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.7 m -46.06 150.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.78 110.408 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.6 p -48.84 -48.93 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.59 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -65.96 -35.22 80.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 4.18 109.293 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.67 -28.73 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 2.09 110.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.71 -49.45 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 3.25 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.14 -34.85 67.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.52 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -55.13 -55.21 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 1.87 110.383 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 79.2 t -51.17 -53.6 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 2.19 109.291 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -41.39 -51.53 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 2.73 110.953 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 0.8 OUTLIER -59.27 -40.41 85.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 6.78 110.312 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -56.31 -23.06 34.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 2.15 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.6 -43.19 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 2.26 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.55 44.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 1.7 110.969 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -140.02 -174.73 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 3.59 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -156.41 62.31 2.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.78 109.277 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.96 166.58 28.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.61 111.004 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -101.35 152.77 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.25 110.375 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -19.64 65.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.03 110.271 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.68 -60.44 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 1.86 109.358 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.19 -44.44 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.78 110.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 3.8 mm? -71.07 -24.99 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 1.67 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 24.0 tt0 -49.42 -39.55 33.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 3.34 110.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.53 -32.93 70.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 2.12 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.0 mmt -70.52 -59.09 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 3.69 110.998 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.63 -46.74 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.93 109.291 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.52 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 63.6 t-20 -65.3 -32.69 74.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 2.14 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.62 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.73 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.63 -50.55 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.74 109.288 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -54.07 106.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 1.5 109.295 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -88.24 -55.7 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 1.35 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.93 -33.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 2.32 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.43 98.06 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.115 . . . . 1.15 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -164.2 -55.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 0.762 . . . . 2.86 109.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.56 36.81 0.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 1.27 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -146.77 154.79 41.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 1.85 110.422 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.2 mt -100.54 171.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.82 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -152.86 -172.08 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 3.18 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -63.44 -49.85 76.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 3.31 110.984 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 1.37 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.1 -57.11 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.62 110.318 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.9 t80 -58.9 -52.57 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 2.17 110.951 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -40.33 -41.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 2.84 109.26 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -69.58 -45.47 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.15 110.418 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -50.5 -60.26 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 3.26 110.953 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -57.49 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 3.55 111.018 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.72 -54.54 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.79 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.09 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 4.03 110.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -58.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 4.41 109.359 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.89 -45.47 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 4.27 111.04 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -55.93 -57.13 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 3.61 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.61 -60.97 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 3.57 109.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 3.11 110.412 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 6.5 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -66.8 -9.0 32.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 7.89 109.291 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.98 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 7.82 110.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -127.45 -60.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 3.37 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.415 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 t -41.02 -33.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.74 110.405 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 25.9 tt0 -58.78 -58.43 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 2.58 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.28 -28.51 65.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.91 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -69.68 -56.89 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 3.52 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.5 mm -49.78 -39.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 3.78 109.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.05 -58.0 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.6 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.67 -46.96 62.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 2.51 110.326 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -39.09 30.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 2.65 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -60.13 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 3.31 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.84 -40.49 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 3.05 110.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -52.48 -57.13 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 1.53 109.253 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.8 t80 -34.84 -52.81 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.71 111.04 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 t -39.3 -47.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 2.13 109.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' ALA . 21.3 mt -70.81 -60.28 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 1.67 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 20.1 m-85 -42.72 -43.01 3.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 3.8 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.24 98.93 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 38.2 mmtt -70.04 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 2.51 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -43.59 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 3.38 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.4 40.91 0.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.89 110.969 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -112.1 -31.23 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 1.58 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 124.76 38.07 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.94 111.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 17.2 p -158.21 133.38 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 2.79 110.457 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.5 mp -94.08 77.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 2.05 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -47.57 153.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.58 110.384 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.2 p -48.56 -51.1 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.8 110.401 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -62.77 -37.38 86.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 3.82 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.87 -26.44 68.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 2.2 110.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 48' ' ' LEU . 1.6 tm? -70.69 -43.99 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 3.44 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.89 -19.14 78.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.52 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 21' ' ' LYS . 89.5 m -66.0 -60.47 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 1.64 110.358 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 36' ' ' MET . 4.8 p -54.83 -52.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 3.06 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.485 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 10.6 mmt -45.58 -49.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 3.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.45 -48.2 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 7.08 110.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 t -59.07 -19.37 43.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 2.39 110.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.0 mt -89.79 35.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 2.67 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLN . . . 80.59 -49.94 3.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 1.65 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLY . 36.6 mt-30 -49.05 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 3.95 110.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.563 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -165.08 57.09 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.78 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 176.93 9.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.811 . . . . 0.7 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -105.65 150.68 25.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.55 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -21.25 65.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.14 110.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -59.55 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 1.61 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.73 -45.32 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 2.02 110.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 32' ' ' LEU . 4.2 mm? -70.59 -23.07 62.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 1.62 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 21.9 tt0 -53.95 -37.65 64.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 2.48 110.261 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.26 -31.01 66.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mmm -70.46 -59.4 2.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 3.21 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.58 -48.77 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.6 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.575 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -62.93 -33.85 76.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 2.23 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.16 -59.67 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.86 110.292 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 71' ' ' MET . 17.4 m -59.02 -42.85 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.76 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -50.22 108.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.74 109.311 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.71 -44.41 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.93 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 15.8 p-10 -51.15 -27.46 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.42 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.67 109.63 1.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.81 110.957 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 3.4 p-10 170.59 -54.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 2.57 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.34 46.12 0.38 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 1.29 111.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.7 m -146.8 167.15 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 1.75 110.354 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CG2' ' H ' ' A' ' 64' ' ' ASP . 22.3 mt -111.36 173.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.93 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 67.6 m-20 -168.0 -174.83 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 2.7 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -51.86 -50.0 80.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 3.86 111.005 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.1 Cg_endo -75.06 -64.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.564 1.823 . . . . 1.35 110.945 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PRO . 55.7 mt-10 -34.75 -54.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.75 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.3 t80 -65.18 -48.55 73.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 2.17 111.035 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.43 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 3.19 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -69.44 -40.86 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.86 110.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.457 ' HG3' ' CG1' ' A' ' 55' ' ' VAL . 7.5 ttt -54.5 -58.66 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.16 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LYS . 15.8 ttm -58.64 -59.22 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 4.38 111.029 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.36 -55.09 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.71 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 3.8 mmm180 -60.73 -26.26 67.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 7.61 110.271 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -60.73 -58.87 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 2.7 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 1.7 ptt? -61.61 -24.11 66.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 4.96 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' MET . 16.1 ttmt -60.48 -60.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 4.66 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.05 -59.99 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 4.62 109.262 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 2.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.76 110.429 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 5.34 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 45.73 32.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 5.86 109.308 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -43.9 3.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 7.4 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -172.32 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 3.27 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.483 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -39.72 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 2.71 110.43 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -63.27 -60.29 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 2.53 110.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 2.57 110.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' OE1' ' CG ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -70.55 -61.23 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 5.58 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.4 pp -52.73 -25.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 4.61 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.08 -60.25 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 1.45 109.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.55 -45.61 65.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 2.6 110.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.44 ' CG ' ' OE1' ' A' ' 8' ' ' GLN . 1.6 m-85 -48.17 -31.55 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 2.15 111.046 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -57.67 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 3.07 109.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.5 -38.07 71.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.2 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -58.88 -49.24 78.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 2.14 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 12.3 t80 -36.09 -49.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 2.61 111.012 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 t -41.8 -45.62 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.89 109.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' ALA . 24.7 mt -70.07 -60.31 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.8 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 25.1 m-85 -46.45 -51.69 14.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 3.79 110.972 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' OD2' ' CA ' ' A' ' 25' ' ' GLY . 5.7 t0 -88.4 60.72 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.57 109.256 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -63.66 -17.21 62.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 2.87 109.317 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -44.8 73.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 2.08 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.35 36.03 13.32 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.87 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -128.29 12.07 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 1.66 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' CA ' ' OD2' ' A' ' 20' ' ' ASP . . . 73.73 2.14 60.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 1.03 110.966 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 58.3 m -116.98 133.01 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 3.53 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.1 mp -103.21 84.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.8 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.7 m -55.52 147.57 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 1.52 110.385 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 71.9 p -41.92 -44.57 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.84 110.422 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -61.44 -42.67 99.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 3.68 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' THR . 25.8 mt-10 -63.6 -30.11 71.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.13 110.249 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.541 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 1.6 tt -63.63 -52.4 61.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 2.7 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.06 95.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 1.01 111.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 ' CG2' ' HD3' ' A' ' 21' ' ' LYS . 89.4 m -41.6 -54.66 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 1.69 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 13.1 t -62.16 -57.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 2.87 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' VAL . 24.2 mmt -34.96 -52.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 3.25 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -51.5 -58.14 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 5.97 110.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -28.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 2.49 109.949 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -87.09 46.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.49 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.11 50.28 22.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 2.09 111.008 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -140.97 -176.61 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 3.6 110.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -172.55 64.01 0.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.89 109.297 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 175.93 10.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.803 . . . . 0.59 110.999 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -108.49 141.78 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.61 110.409 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -19.35 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 2.64 110.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -55.46 18.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.68 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.55 -37.29 86.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.63 110.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD1' HD23 ' A' ' 32' ' ' LEU . 3.8 mm? -70.65 -25.63 63.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 2.18 109.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 36.0 tt0 -56.82 -36.45 69.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 2.85 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.17 -34.15 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 2.13 109.324 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -57.52 4.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 3.24 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 53' ' ' ASN . 2.4 pp -48.92 -43.55 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.8 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' HD11 ' A' ' 52' ' ' ILE . 21.8 t-20 -66.6 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.29 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -70.55 -56.51 6.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.88 110.298 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 71' ' ' MET . 13.0 m -60.16 -46.02 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.79 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.22 109.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.83 109.308 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -97.5 -48.06 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.6 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ALA . 1.6 p30 -40.33 -31.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 2.75 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.77 89.5 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 1.12 111.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.53 -63.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 2.88 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.45 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 1.31 111.017 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 26' ' ' THR . 25.2 m -150.13 166.9 28.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 1.84 110.359 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 68' ' ' PHE . 2.0 mt -103.42 165.42 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 2.27 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.6 t0 -152.03 166.94 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 2.47 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -55.62 -50.86 84.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 3.25 110.957 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -29.63 8.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 1.01 110.977 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.93 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.01 110.309 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.4 t80 -50.23 -39.85 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 2.27 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -55.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 4.17 109.326 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -58.63 -52.13 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 1.98 110.377 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.38 -61.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 3.82 111.038 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 4.5 110.994 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.71 -57.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.79 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -60.89 -40.38 92.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 6.06 110.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -60.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 3.19 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -43.36 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 4.75 111.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.86 52.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 5.06 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -60.89 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 3.57 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.7 110.385 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.274 -0.639 . . . . 7.35 109.274 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' ALA . 14.0 t0 -38.86 -51.26 1.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 7.32 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -178.94 35.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 9.32 110.288 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.26 -33.8 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 3.67 109.355 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.508 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.9 t -58.61 -21.84 54.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 2.69 110.371 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -61.81 -56.76 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 2.52 110.252 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -71.62 -29.78 65.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 2.61 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 3.7 mm-40 -70.27 -60.58 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 3.67 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.2 pp -51.34 -30.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 4.39 109.348 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.51 -59.87 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.69 109.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.56 -45.07 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 2.93 110.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -48.86 -37.57 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 2.38 110.982 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -51.96 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 2.83 109.303 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -32.49 70.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 3.7 110.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -66.75 -42.54 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.8 109.268 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 42.6 t80 -38.05 -39.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 2.39 111.024 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -53.61 50.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 2.27 109.997 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.3 -59.55 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.8 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 10.5 m-85 -44.23 -44.93 8.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 3.8 110.994 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -99.96 46.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.45 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CD ' HG23 ' A' ' 34' ' ' THR . 0.2 OUTLIER -41.2 -44.78 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 3.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.97 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 2.32 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.94 43.84 5.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.594 1.184 . . . . 0.79 111.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 26.87 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 2.03 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 27.13 13.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 1.15 111.025 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -148.19 115.59 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 2.7 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mp -83.24 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 2.16 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.4 m -78.05 150.21 33.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 1.78 110.386 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.474 ' N ' HG23 ' A' ' 28' ' ' THR . 37.8 p -41.95 -30.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.74 110.43 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -70.05 -44.49 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 4.4 109.335 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -55.49 -34.43 64.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 2.67 110.35 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 48' ' ' LEU . 61.5 tp -71.16 -60.28 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 3.39 109.234 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.67 -32.0 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.61 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.477 HG23 ' CD ' ' A' ' 21' ' ' LYS . 51.0 m -67.42 -57.55 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 1.63 110.416 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG22 ' CE ' ' A' ' 21' ' ' LYS . 94.1 t -51.82 -49.8 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 2.29 109.292 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mmt -37.83 -58.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 3.49 110.977 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.6 mtp85 -56.87 -42.67 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 6.56 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.5 t -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 2.51 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 37' ' ' ARG . 80.9 mt -83.45 -48.3 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 2.08 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 160.5 -43.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 1.74 110.957 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -45.73 172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 4.41 110.282 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.51 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 14.5 m120 -145.84 59.86 6.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 4.64 109.318 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.93 172.3 16.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.75 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.63 140.35 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.53 110.429 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -19.64 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 3.4 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.7 -58.91 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.69 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.93 -38.62 73.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.9 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.1 mm? -70.3 -29.71 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 1.51 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 52' ' ' ILE . 56.5 tt0 -51.85 -37.92 53.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 2.14 110.296 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.7 -31.94 67.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.24 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -58.9 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 4.38 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 63' ' ' ILE . 2.7 pp -47.13 -48.03 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.7 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -61.08 -35.27 76.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 1.71 109.349 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -70.09 -60.33 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 2.13 110.321 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.6 m -56.62 -47.63 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.68 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 24.0 t70 -49.1 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.8 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 -48.12 5.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.28 109.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 36.7 p-10 -47.27 -30.13 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 2.46 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.45 111.94 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.77 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.0 p30 173.13 -51.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 2.71 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.97 39.43 0.65 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 1.27 111.017 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 23.9 m -147.13 161.17 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 1.61 110.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' CD1' HG23 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -99.89 178.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.82 109.331 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.442 ' N ' ' HB2' ' A' ' 67' ' ' GLU . 19.3 t0 -167.21 172.15 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 2.62 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -52.49 -52.92 59.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 3.05 110.98 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -32.98 4.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.6 110.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 51.5 mt-10 -66.0 -60.45 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.87 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.33 -44.7 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 2.36 111.004 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -43.13 -48.71 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 3.97 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -60.35 -48.63 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 1.96 110.402 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.84 -60.42 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 3.77 110.998 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -56.99 -59.86 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 4.83 110.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -43.1 -54.79 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.83 109.315 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 1.4 mmm180 -61.02 -35.85 77.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 7.62 110.319 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -60.02 4.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 3.18 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 21.0 ptm -58.32 -28.9 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 4.58 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.1 OUTLIER -60.93 -58.98 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 3.3 109.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.8 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 3.35 110.405 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.282 -0.636 . . . . 5.93 109.282 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER 47.89 41.26 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 7.97 109.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 1' ' ' ALA . 2.6 pt20 -118.81 -32.55 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 7.19 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -174.76 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 2.95 109.237 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -58.3 -22.39 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 2.74 110.427 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 2.0 tt0 -64.15 -60.82 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.63 110.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.18 -31.6 69.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.87 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.586 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 5.1 mm100 -68.84 -49.88 54.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 3.29 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.9 mm -47.12 -44.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 1.127 . . . . 3.71 109.264 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.23 80.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 1.79 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -70.36 -47.34 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.77 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 21.7 m-85 -59.96 -44.42 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 4.39 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.36 -58.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 4.19 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.92 -32.14 73.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 3.45 110.312 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -63.58 -59.04 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 2.44 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 17.6 t80 -37.44 -35.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 2.62 110.997 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.2 t -65.76 -52.1 53.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 2.21 110.032 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 65.9 mt -70.24 -49.57 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.74 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CE2' ' CD2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -59.47 -44.63 92.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 5.77 110.977 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' PHE . 19.4 t0 -92.96 56.14 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.42 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 3.3 pttt -57.07 -38.02 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 6.64 109.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.57 -42.9 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.49 109.273 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.82 43.07 36.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.84 111.014 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.83 -20.44 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 2.02 109.305 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.85 2.21 27.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.94 111.013 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.16 138.2 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 2.11 110.396 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.477 HG22 ' CG1' ' A' ' 63' ' ' ILE . 1.1 mp -95.53 97.6 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 2.02 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 31' ' ' GLU . 5.6 m -64.35 144.09 57.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.57 110.423 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' THR . 51.0 p -37.22 -38.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.45 110.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 7.1 pttt -63.79 -52.64 59.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 4.49 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 40.4 mt-10 -45.95 -33.55 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.8 110.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.7 tt -70.99 -59.91 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 2.6 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.16 45.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.73 110.961 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.455 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 m -63.6 -61.28 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 2.22 110.433 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 90.6 t -43.78 -52.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.72 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmm -38.5 -54.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 4.28 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -55.74 -43.22 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 4.27 110.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.71 -23.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.95 110.014 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.02 -35.73 17.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 2.34 109.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 144.13 -50.09 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.9 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -43.49 167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 5.4 110.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.7 m-80 -139.88 61.17 17.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 3.4 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.98 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.86 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -107.06 145.89 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.64 110.381 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.92 -20.05 65.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 2.39 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -58.8 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.81 109.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.1 -38.77 68.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 2.18 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 3.8 mm? -70.33 -30.22 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.48 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -53.98 -36.87 63.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 2.21 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.91 -33.52 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 2.35 109.309 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -57.66 4.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 3.71 111.041 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 56' ' ' ASP . 2.7 pp -49.77 -42.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.72 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 t-20 -62.44 -35.04 78.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 2.24 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -60.01 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 1.79 110.306 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.79 -34.86 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.85 109.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 22.7 t70 -65.69 109.38 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.98 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -104.33 -46.27 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.39 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.48 -30.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 2.89 109.251 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 92.8 96.74 1.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.87 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -179.98 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 2.18 109.33 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.14 46.59 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 1.25 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 m -144.6 163.09 34.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 1.82 110.409 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 27' ' ' ILE . 1.6 mt -99.96 179.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.15 109.321 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 34.5 t0 -172.73 -178.93 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 3.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.09 -50.8 85.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 4.3 111.024 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.03 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.72 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.93 -49.63 56.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.97 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 6.6 t80 -55.56 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 5.9 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -38.63 -51.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 3.5 109.316 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -52.55 -48.9 65.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.12 110.397 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' PHE . 10.4 tpt -51.34 -60.37 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 4.18 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 3.93 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.7 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -60.56 -37.33 80.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.93 110.274 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -58.21 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 3.63 109.314 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.458 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -55.14 -42.03 72.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 4.75 110.982 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -57.75 11.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 4.26 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -54.6 -61.12 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 3.02 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 12.7 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.79 110.411 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.331 -0.618 . . . . 8.22 109.331 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 59.95 18.0 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 11.01 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 63.4 38.99 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 8.25 110.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -106.04 -47.1 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 3.54 109.33 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 ' N ' HD11 ' A' ' 4' ' ' LEU . 13.8 t -41.94 -29.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 3.36 110.385 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.0 tt0 -53.78 -60.22 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 2.79 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.53 -36.15 78.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 2.3 110.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 13.2 tp60 -60.82 -60.16 4.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 4.62 110.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -43.21 -39.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 3.95 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.31 6.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 1.39 109.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.51 -45.73 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.97 110.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -30.34 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 2.47 111.017 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.92 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 3.04 109.311 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.29 -35.82 73.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.04 110.322 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -61.61 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.64 109.305 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 61.7 t80 -36.8 -47.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 2.26 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -43.64 -51.55 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 2.15 109.975 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 14.8 mt -70.66 -60.71 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.66 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 18.6 m-30 -38.01 -38.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 4.24 110.956 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -102.78 103.34 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.09 109.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 22.7 mmtp -72.41 -61.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 3.73 109.321 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.09 -62.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 2.37 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.4 39.08 3.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.75 110.991 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.99 -36.69 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 1.42 109.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 130.94 39.22 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 1.13 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 1.3 p -161.73 120.98 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 2.05 110.403 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.3 mp -81.86 79.59 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 2.26 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.0 m -44.81 141.74 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.74 110.407 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.47 HG21 ' CD1' ' A' ' 52' ' ' ILE . 70.8 p -44.93 -51.04 10.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.87 110.364 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -58.66 -36.58 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.76 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.24 -28.23 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.18 110.287 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD23 ' CG2' ' A' ' 52' ' ' ILE . 12.1 tp -69.25 -44.9 71.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 3.59 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.13 -26.57 72.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.74 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.446 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 87.0 m -66.47 -59.26 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 2.06 110.401 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG23 ' CE ' ' A' ' 21' ' ' LYS . 2.4 t -44.93 -55.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 2.14 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 3.9 mmt -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 3.6 110.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 42' ' ' ASN . 26.2 mtt85 -50.08 -46.06 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 6.52 110.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -34.15 8.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.87 109.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 36' ' ' MET . 3.3 mt -69.92 -43.93 70.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 3.57 109.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 48.18 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 2.2 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -122.75 -38.59 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 0.794 . . . . 4.78 110.249 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.518 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 54.71 59.28 11.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 2.22 109.297 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 178.73 6.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.63 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -105.98 145.62 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.54 110.436 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.8 -19.5 65.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 2.83 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -57.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.68 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.58 -40.11 74.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 2.05 110.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 32' ' ' LEU . 4.2 mm? -70.49 -27.65 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.13 109.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.71 -37.13 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 2.08 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.77 -34.54 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 1.69 109.25 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.85 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 3.64 111.011 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' CG2' HD23 ' A' ' 32' ' ' LEU . 2.9 pp -47.65 -48.19 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 1.77 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.445 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -62.97 -33.81 76.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.58 109.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.96 -60.27 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 1.86 110.249 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 71' ' ' MET . 16.7 m -56.87 -44.01 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.57 109.253 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 18.9 t70 -51.2 109.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.76 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -98.64 -57.34 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 1.43 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -39.33 -35.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 2.11 109.311 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 60' ' ' ASP . . . 95.12 96.25 1.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.79 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -168.61 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 2.91 109.314 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.09 35.44 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.22 111.02 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -140.42 166.93 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 1.64 110.409 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.473 HG21 ' N ' ' A' ' 64' ' ' ASP . 4.7 mt -103.95 166.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.91 109.298 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.519 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.5 m-20 -156.49 -175.43 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 3.25 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -65.67 -48.77 63.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 3.76 111.024 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -32.44 5.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.75 110.978 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE2' ' OD1' ' A' ' 58' ' ' ASP . 69.4 mt-10 -69.86 -61.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.88 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 1.4 t80 -56.88 -34.1 67.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 2.16 111.036 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -50.73 -56.51 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 3.14 109.322 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 2.2 m -60.77 -49.36 77.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 2.06 110.382 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.479 ' CG ' HG11 ' A' ' 55' ' ' VAL . 5.2 ttt -50.56 -59.92 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 3.28 111.042 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 3.46 110.971 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.15 -58.5 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 1.76 109.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 3.81 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -44.34 -57.92 3.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 3.25 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.82 -39.8 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 5.25 111.049 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -60.08 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 4.77 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.18 -61.16 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 2.98 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.96 110.406 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 6.57 109.288 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -10.73 35.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 7.48 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.25 -27.54 60.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 6.6 110.326 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 162.6 -45.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 3.53 109.26 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.503 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 1.2 m -44.43 -25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 2.75 110.381 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 16.3 tt0 -60.16 -57.61 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 2.96 110.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.44 -28.45 65.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 2.71 110.325 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -69.67 -59.74 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 3.33 110.278 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 5' ' ' THR . 1.2 pp -55.72 -19.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 4.35 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 1.56 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.06 -44.22 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.05 110.276 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.71 -30.16 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 2.32 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -60.01 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 3.25 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.21 -32.94 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 4.65 110.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.558 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . . . -63.6 -43.77 95.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.68 109.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -39.81 -44.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 2.31 111.017 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 t -51.02 -50.94 57.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 2.45 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.5 -59.85 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.89 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 11.2 m-85 -42.07 -45.66 4.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 4.39 110.959 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.6 100.69 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HE2' ' CG2' ' A' ' 35' ' ' VAL . 39.1 mmtt -78.73 -54.56 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 2.61 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.926 ' HB2' 'CA ' ' A' ' 80' ' ' ' CA' . 2.5 m-20 -48.79 -50.67 33.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 2.36 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.61 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.081 . . . . 0.62 111.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -22.47 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.5 109.303 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.58 29.66 2.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.98 111.022 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -154.66 126.89 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 2.29 110.402 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.8 mp -92.76 105.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.82 109.264 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 5.5 m -80.38 152.96 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.93 110.393 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.485 ' CG2' HG12 ' A' ' 52' ' ' ILE . 43.1 p -38.08 -36.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.95 110.404 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.92 -52.67 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 5.27 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' THR . 49.3 mt-10 -48.98 -31.61 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 2.15 110.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -71.08 -58.56 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 3.03 109.312 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -20.56 60.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.6 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.463 HG21 ' CD ' ' A' ' 21' ' ' LYS . 27.2 m -67.63 -43.69 79.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 1.88 110.399 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 10.7 t -70.68 -49.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 2.64 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.0 mmm -42.26 -62.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 4.09 111.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 38' ' ' SER . 8.2 ppt_? -60.65 -27.11 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 5.93 110.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.66 -21.03 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 2.58 110.044 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -89.37 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 2.74 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.59 -42.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 2.03 111.023 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -48.65 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 4.46 110.291 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m-80 -153.89 61.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 2.74 109.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.65 111.007 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.03 138.59 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.91 110.382 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.95 -20.2 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.06 110.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -59.94 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.77 109.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.17 -43.94 52.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.6 110.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 32' ' ' LEU . 2.8 mm? -70.53 -26.98 63.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.73 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -52.25 -37.82 56.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 2.53 110.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.63 -32.4 69.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.77 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.63 -58.69 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 3.06 111.022 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.485 HG12 ' CG2' ' A' ' 29' ' ' THR . 2.8 pp -48.92 -46.17 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.79 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 1.7 t-20 -64.11 -34.11 77.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 2.01 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -70.74 -60.04 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 2.29 110.338 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 16.1 m -55.11 -50.16 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 1.77 109.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 11.7 t70 -52.58 106.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.2 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -86.1 -56.55 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.7 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.09 -34.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 2.17 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 89.23 86.86 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.53 111.017 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -151.06 -54.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 2.77 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.3 41.72 0.53 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.158 . . . . 1.33 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.0 m -147.28 155.11 41.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 1.71 110.378 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 32' ' ' LEU . 1.6 mt -87.04 163.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.94 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.564 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.0 t0 -151.64 154.19 35.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 2.86 109.322 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -49.01 -47.3 75.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 3.49 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.02 -30.5 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.7 111.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -72.33 -60.09 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.63 110.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.9 -53.69 24.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 2.25 111.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -51.26 -45.62 62.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 3.02 109.286 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.419 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.6 m -64.18 -43.58 94.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 2.14 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 8.8 tpt -53.95 -60.42 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 4.65 111.048 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 4.95 111.044 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -47.19 -55.27 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.65 109.331 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.98 -32.1 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 5.98 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -58.97 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 3.91 109.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.472 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 6.3 ptm -59.71 -22.25 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 4.88 111.043 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 76' ' ' MET . 2.9 ttmt -61.5 -59.99 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 4.83 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.48 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.65 109.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 3.81 110.387 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . 0.926 'CA ' ' HB2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' N ' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.265 -0.643 . . . . 7.16 109.265 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.72 25.81 5.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 8.91 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 15.2 mt-30 -125.59 1.07 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 7.87 110.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 87.56 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 3.58 109.294 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.1 m -32.99 -52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.89 110.393 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -62.15 -50.01 73.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 3.61 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.2 mt-10 -61.15 -60.55 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 3.62 110.255 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' OE1' ' CD2' ' A' ' 69' ' ' LEU . 3.8 pt20 -50.31 -49.09 54.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 6.63 110.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.455 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 14.9 mm -59.27 -32.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 3.63 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.37 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.47 109.267 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -47.54 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 4.19 110.323 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -50.96 -43.7 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 3.38 110.962 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -58.75 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 3.65 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.83 -40.16 76.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.64 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -53.13 -53.3 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.96 109.314 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.4 t80 -33.03 -50.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 2.34 111.01 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -46.1 -60.37 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 2.23 109.98 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.88 -55.87 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.1 109.324 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.798 ' CE1' ' CE2' ' A' ' 68' ' ' PHE . 16.2 t80 -39.84 -44.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 6.78 111.018 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.84 100.97 13.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 1.03 109.263 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' CE ' HG21 ' A' ' 35' ' ' VAL . 49.8 mmtt -66.34 -65.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 2.5 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.64 -60.03 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.58 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.68 46.48 2.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.84 110.983 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -109.1 -10.51 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 1.35 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.98 22.39 7.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.91 111.037 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -154.81 134.99 13.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 2.22 110.392 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.585 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.8 mp -99.22 96.53 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 2.04 109.362 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -58.69 156.66 10.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.7 110.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.483 HG23 ' CG1' ' A' ' 52' ' ' ILE . 37.0 p -51.92 -51.37 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.63 110.364 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -31.15 72.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 3.15 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.73 -27.86 68.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 1.74 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 1.5 tt -67.21 -53.57 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 2.81 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -50.93 -31.81 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.52 111.06 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.74 -56.89 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 1.77 110.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG21 ' CE ' ' A' ' 21' ' ' LYS . 97.0 t -52.22 -55.62 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 2.6 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -38.0 -43.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 3.13 111.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 9.1 mtm180 -60.73 -51.02 71.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 4.27 110.235 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.85 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 2.63 109.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -79.46 -49.09 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.59 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 139.9 44.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 1.87 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.22 175.83 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 3.53 110.308 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -157.47 63.22 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.76 109.306 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.8 111.003 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.65 36.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 2.18 110.383 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -20.0 52.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 2.44 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.95 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.17 109.313 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.82 -42.31 65.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 2.04 110.318 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.6 mm? -70.72 -26.75 63.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.84 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -51.89 -38.36 55.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 2.99 110.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -71.84 -32.28 67.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 2.23 109.32 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.45 ' HE2' ' CE ' ' A' ' 71' ' ' MET . 0.9 OUTLIER -70.36 -59.35 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 3.79 110.991 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.483 ' CG1' HG23 ' A' ' 29' ' ' THR . 2.7 pp -46.95 -48.18 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.51 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' N ' HD13 ' A' ' 52' ' ' ILE . 34.4 t-20 -60.72 -35.58 76.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 2.17 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.14 -58.31 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 2.36 110.301 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 56' ' ' ASP . 3.4 m -59.73 -26.42 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 1.75 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 55' ' ' VAL . 9.5 t70 -78.07 109.24 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.97 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -90.91 -55.65 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.42 109.292 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -35.8 -35.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.22 109.256 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 89.39 85.46 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 1.24 110.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -54.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 2.77 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.36 40.73 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 1.27 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -145.03 162.39 37.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.77 110.459 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CD1' HD12 ' A' ' 32' ' ' LEU . 10.5 mt -100.02 171.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.68 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.492 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 35.4 t0 -168.19 177.95 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 2.76 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.513 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -57.6 -50.81 86.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 3.6 111.008 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -31.31 6.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.86 111.057 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 56.7 mt-10 -70.6 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.11 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.798 ' CE2' ' CE1' ' A' ' 19' ' ' PHE . 1.1 t80 -56.54 -41.99 77.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 2.16 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' ' OE1' ' A' ' 8' ' ' GLN . 2.2 mt -39.12 -51.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 4.01 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -66.98 -40.07 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 2.09 110.378 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.45 ' CE ' ' HE2' ' A' ' 51' ' ' MET . 11.3 ttt -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 4.16 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 11.8 mtp -60.38 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.45 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.62 -57.89 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.89 109.249 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -60.09 -23.91 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 4.35 110.336 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -57.55 -57.75 11.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 5.12 109.304 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.46 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 0.9 OUTLIER -60.92 -22.39 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 4.01 111.036 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.2 OUTLIER -60.81 -60.14 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 4.14 109.304 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -53.64 -60.52 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 3.52 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 76' ' ' MET . 7.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 3.22 110.426 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.255 -0.646 . . . . 5.68 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 43.43 44.58 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 6.24 109.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -52.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 7.01 110.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -175.28 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 3.81 109.304 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.8 m -36.98 -35.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 2.51 110.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 7' ' ' GLU . 18.8 pt-20 -62.16 -55.57 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 4.16 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 6' ' ' GLU . 4.5 pt-20 -71.15 -37.61 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.59 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -64.01 -54.04 40.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 3.47 110.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.79 -35.86 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 4.1 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.78 -55.55 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 1.45 109.333 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.03 -46.6 61.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.52 110.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -50.51 -38.5 44.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 2.44 111.031 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -49.68 -60.69 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 3.57 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.42 72.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 4.1 110.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -54.47 -50.58 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.97 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 27.8 t80 -37.46 -53.68 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.7 110.971 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PHE . 41.5 t -38.93 -48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 2.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 34.1 mt -70.39 -60.6 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.82 109.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -43.32 -55.93 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 3.87 110.988 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 22.0 t0 -71.89 98.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.89 109.263 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 67.9 mmtt -75.8 -54.07 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 2.48 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -54.92 -58.56 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 3.14 109.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.17 36.05 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.65 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -104.92 -12.86 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 1.58 109.307 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.84 8.5 26.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 0.97 110.99 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -135.87 146.9 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 2.29 110.388 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 27' ' ' ILE . 2.1 mp -106.58 88.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.87 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.6 m -52.98 150.14 5.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 1.89 110.398 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -40.16 -46.39 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 1.72 110.422 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.45 -42.11 88.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 2.92 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 52.2 mt-10 -55.68 -31.77 62.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 2.13 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.6 tt -66.21 -47.91 72.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 2.74 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.97 -19.18 73.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.59 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 21' ' ' LYS . 63.6 m -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 1.96 110.427 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 36' ' ' MET . 1.8 p -72.27 -50.11 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 3.42 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.501 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 30.7 mmt -42.57 -58.84 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 3.32 110.98 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 34' ' ' THR . 6.6 ppt_? -63.46 -33.75 76.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 5.51 110.269 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -54.09 -24.93 19.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 2.84 110.064 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -79.11 -60.25 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 2.26 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.56 58.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 1.97 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -129.69 -41.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 3.61 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.604 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 61.29 54.97 3.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 2.26 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -176.96 3.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.89 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 1.1 p -112.42 140.77 46.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 2.2 110.358 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.51 -19.66 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.38 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 -58.97 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.71 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.48 -37.27 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.54 110.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.61 -27.67 64.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.83 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.3 tt0 -61.06 -34.56 75.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 2.34 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.59 -34.17 67.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 2.13 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -54.57 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 3.46 110.99 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 2.9 pp -51.53 -32.01 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.76 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.02 -33.8 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 1.82 109.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -60.53 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 2.09 110.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.0 m -51.84 -41.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.69 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -46.44 105.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.96 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.17 -57.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.94 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -49.78 -32.31 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.13 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . 101.49 118.38 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 1.09 111.032 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 2.9 p-10 163.37 -58.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 2.74 109.321 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . 135.23 -24.23 3.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 2.02 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.2 m -78.33 170.22 16.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 1.74 110.347 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' CD1' HD12 ' A' ' 32' ' ' LEU . 8.9 mt -103.43 171.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.95 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 2.6 t70 -152.81 157.98 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 2.43 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -49.18 -51.41 57.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 3.3 110.996 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -29.49 8.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.84 110.994 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.93 -55.23 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 2.06 110.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.8 t80 -56.55 -42.71 78.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.22 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -40.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 3.26 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.5 m -70.56 -43.77 68.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 1.61 110.399 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 tpt -46.38 -60.62 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 2.96 110.994 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -59.76 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 3.24 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.47 -57.0 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.62 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -61.02 -38.06 84.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 4.74 110.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.88 -55.93 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 3.66 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -41.86 85.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 4.53 111.033 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -59.95 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 3.17 109.341 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -59.99 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 3.34 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 2.81 110.414 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' N ' ' H ' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.317 -0.623 . . . . 5.76 109.317 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.96 14.33 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 5.82 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -137.1 -51.21 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 7.96 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER 178.69 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 3.58 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -38.29 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 4.33 110.406 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' H ' ' N ' ' A' ' 1' ' ' ALA . 7.2 tt0 -49.13 -61.12 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.92 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.06 -33.78 70.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 2.5 110.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 12' ' ' PHE . 2.2 tp-100 -60.58 -60.47 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 3.77 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.87 -19.78 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 4.17 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.28 -60.55 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 2.04 109.275 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.32 -44.43 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 2.83 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-30 -49.98 -31.94 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 3.38 110.997 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -52.71 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 3.36 109.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -30.21 66.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 4.3 110.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.4 91.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 2.01 109.278 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CD2' ' CE2' ' A' ' 65' ' ' PHE . 17.2 t80 -50.92 -38.61 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 2.28 110.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 3.28 110.011 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 6.8 mt -62.56 -61.11 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 2.26 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.04 -30.91 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 5.7 111.014 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 21.5 t0 -105.42 53.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.48 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -47.46 -45.47 25.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 2.75 109.279 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -39.83 -55.75 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 2.08 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.37 9.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.73 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -28.51 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 1.68 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.25 26.91 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.05 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -154.67 119.13 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 2.03 110.415 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.2 mp -82.63 95.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.82 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.9 m -64.7 146.19 55.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 1.81 110.35 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.0 p -41.96 -39.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.47 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -44.5 96.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.5 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 46.4 mt-10 -65.23 -29.68 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.97 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 4.04 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 32' ' ' LEU . . . -71.77 -20.48 78.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.63 110.967 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.453 HG23 ' CD ' ' A' ' 21' ' ' LYS . 53.9 m -70.14 -60.9 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 1.68 110.452 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' ' 19' ' ' PHE . 4.0 p -50.15 -37.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 3.01 109.325 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 14.9 mmt -48.68 -54.76 13.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 3.02 110.952 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 38' ' ' SER . 4.3 ppt_? -54.54 -28.75 47.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 9.12 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -70.92 -26.85 63.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.97 109.962 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.19 -49.28 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 2.86 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.07 51.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 2.48 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -166.12 135.59 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 4.31 110.305 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -127.98 68.29 75.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 2.82 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 -172.06 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 1.1 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -106.54 141.09 38.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.87 110.371 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -19.53 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 3.94 110.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . -70.02 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 2.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.43 -41.75 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 2.64 110.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 4.3 mm? -70.45 -28.71 65.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 2.2 109.285 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 52' ' ' ILE . 35.9 tt0 -46.6 -40.32 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 2.67 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -72.39 -32.29 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 2.02 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.5 mmm -70.87 -55.47 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 4.64 111.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -52.44 -33.97 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.94 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' HD11 ' A' ' 52' ' ' ILE . 47.7 t-20 -67.83 -29.7 68.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 2.3 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.26 -59.31 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.34 110.281 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 71' ' ' MET . 2.2 m -57.06 -39.89 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.91 109.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.42 107.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 1.11 109.284 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -105.02 -61.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.93 109.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -40.86 -29.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 2.7 109.308 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 102.54 110.01 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.18 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER 167.6 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 2.86 109.322 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.52 -42.55 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 2.54 111.012 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.443 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 46.7 m -61.31 154.19 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 1.84 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 4.1 mt -90.2 160.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 2.07 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -143.37 -171.72 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 3.71 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.41 -48.58 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 3.03 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.01 -33.7 4.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.75 111.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 57' ' ' ALA . 67.9 mt-10 -70.42 -39.57 74.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.57 110.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 1.4 t80 -70.64 -41.97 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 6.46 110.984 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -45.26 89.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 3.4 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -63.15 -36.46 83.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 2.45 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.468 ' CG ' HG12 ' A' ' 55' ' ' VAL . 7.8 tpt -56.88 -60.22 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 4.91 110.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -55.78 -57.07 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 4.64 110.989 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 76' ' ' MET . . . -49.75 -50.57 43.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.73 109.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.0 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 5.45 110.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -62.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 4.77 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -61.87 -21.4 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 5.85 111.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.0 ttmt -62.73 -60.03 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 4.57 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -61.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.26 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 4.55 110.374 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.275 -0.639 . . . . 8.65 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 1' ' ' ALA . 2.1 m-20 72.42 -54.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 7.97 109.261 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.9 mt-30 -58.64 -21.89 55.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.21 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -57.26 -43.47 83.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 4.31 109.281 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 1.2 t -59.13 -19.72 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 2.61 110.356 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 17.7 tt0 -59.39 -60.99 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 3.05 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.01 -28.04 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.94 110.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 2.3 mp0 -70.81 -60.65 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 5.75 110.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 5' ' ' THR . 1.8 pp -52.64 -21.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 4.11 109.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.4 -61.22 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 2.03 109.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -72.17 -43.79 64.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.22 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 8' ' ' GLN . 3.7 m-85 -49.46 -36.35 22.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 3.23 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -61.1 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 2.81 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -34.65 69.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.98 110.311 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -60.31 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 2.15 109.328 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 9.07 111.019 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -42.19 -41.48 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 3.38 110.027 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 11.5 mt -70.45 -46.32 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 2.32 109.319 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD2' HG13 ' A' ' 35' ' ' VAL . 73.7 m-85 -59.46 -37.94 79.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 4.16 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.14 100.68 9.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.48 109.338 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 67.9 mmtt -77.48 -58.49 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 2.43 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -44.32 -48.26 9.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 2.2 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.39 31.28 19.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.137 . . . . 1.29 111.024 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -102.88 -33.98 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 2.06 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.02 -19.43 3.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 1.8 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 62' ' ' THR . 86.9 m -103.11 145.28 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 3.42 110.389 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.06 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.88 109.301 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 31' ' ' GLU . 3.4 m -61.08 149.12 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 1.71 110.437 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' THR . 57.9 p -37.2 -36.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.47 110.37 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' THR . 14.9 mtpt -68.64 -52.42 31.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 4.5 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' THR . 35.2 mt-10 -47.05 -31.55 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.94 110.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 63' ' ' ILE . 2.9 tt -70.99 -52.37 20.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 2.55 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -71.38 -18.74 77.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.108 . . . . 0.79 110.989 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' LYS . 87.8 m -68.36 -49.72 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 2.25 110.386 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.603 HG13 ' CD2' ' A' ' 19' ' ' PHE . 8.5 p -71.75 -52.14 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 3.05 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.474 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 41.2 mmm -41.15 -60.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 3.44 111.04 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 6.3 ppt_? -60.21 -33.68 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 4.99 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 3.6 t -60.56 -23.15 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.12 110.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -89.94 41.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 2.81 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.63 -51.56 4.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 2.54 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 74.0 mm-40 -50.25 -178.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 4.81 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.482 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t-20 -165.82 60.84 0.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 2.37 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.63 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -105.66 142.54 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.65 110.414 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -19.75 38.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.62 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.26 -60.28 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.65 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.67 -41.3 70.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 2.19 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -70.89 -23.98 62.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.58 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.5 tt0 -55.49 -36.27 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 2.13 110.247 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.95 -32.03 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.9 109.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -59.4 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 3.51 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 49' ' ' GLN . 2.6 pp -48.42 -46.69 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.59 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' HD13 ' A' ' 52' ' ' ILE . 2.3 m-20 -58.51 -35.02 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 2.82 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.01 -60.0 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.68 110.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.9 m -58.66 -28.21 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.81 109.252 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 55' ' ' VAL . 31.9 t70 -64.93 108.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.97 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -102.56 -52.72 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 1.5 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -40.49 -30.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 2.03 109.345 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.31 95.47 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.9 110.992 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.11 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 2.54 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 44.08 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 1.25 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 26' ' ' THR . 22.3 m -142.96 168.74 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 1.78 110.425 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.501 HG23 ' CD1' ' A' ' 68' ' ' PHE . 5.0 mt -107.46 170.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.76 109.361 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.425 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.4 t0 -160.63 167.65 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 2.44 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.02 -52.11 68.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 2.89 110.989 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -28.5 9.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.64 111.017 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -70.25 -55.54 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.52 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 2.3 111.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -39.85 -46.98 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 4.12 109.282 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.1 m -64.52 -45.34 87.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.85 110.41 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.469 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.0 tpt -53.45 -60.49 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 3.91 111.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -59.23 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 3.59 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.75 -54.95 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.9 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -61.43 -32.17 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 4.03 110.262 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -60.11 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.67 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.451 ' CE ' HD21 ' A' ' 4' ' ' LEU . 1.9 ptt? -60.23 -20.1 57.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 5.7 110.954 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.85 -57.59 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 3.69 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.19 -57.31 10.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.14 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 4.54 110.376 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.431 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.28 -0.637 . . . . 9.05 109.28 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.6 t0 78.29 -50.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 8.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 9.0 pt20 -130.5 -39.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 7.66 110.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 8' ' ' GLN . 1.2 tp -55.16 -31.57 61.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 3.93 109.314 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -48.9 -32.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 2.72 110.377 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.3 -43.57 85.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 2.49 110.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -44.28 71.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.99 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 4' ' ' LEU . 16.2 mm100 -66.93 -57.45 6.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 3.55 110.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 5' ' ' THR . 7.3 mm -41.54 -45.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 4.11 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -53.5 28.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 1.86 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.42 -46.55 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 2.53 110.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -22.97 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.54 110.986 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.25 -60.13 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 4.09 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.02 -33.37 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 3.24 110.338 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.56 93.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.79 109.268 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 41.9 t80 -38.62 -44.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 2.24 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -51.17 -60.06 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 2.22 109.983 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.6 mt -52.19 -52.63 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.94 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD1' HG23 ' A' ' 35' ' ' VAL . 37.5 m-85 -57.0 -29.54 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 4.45 111.0 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 2.3 t0 -75.96 91.32 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 2.31 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' CG ' ' HG3' ' A' ' 31' ' ' GLU . 51.8 mmtt -91.12 19.34 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 2.72 109.269 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HB2' 'CA ' ' A' ' 80' ' ' ' CA' . 37.4 m-20 -146.66 -51.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 2.34 109.309 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 41.48 6.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 0.7 111.028 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -22.22 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 1.68 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.4 8.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.85 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -144.93 130.57 18.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 2.12 110.333 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.505 ' CD1' ' OE2' ' A' ' 31' ' ' GLU . 18.1 mm -87.91 83.86 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 3.38 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -47.39 149.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.87 110.428 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 61' ' ' GLY . 48.5 p -50.96 -56.09 14.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.69 110.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -26.09 68.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 3.12 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 19.5 tt0 -70.31 -33.69 71.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 3.21 110.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 52' ' ' ILE . 1.6 tp -67.8 -38.3 83.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 3.59 109.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -25.84 72.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.57 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -61.28 -55.22 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 1.53 110.38 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG23 ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -50.77 -53.52 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 2.29 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.87 -42.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 3.12 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -50.1 -50.17 49.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 4.63 110.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -22.51 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.9 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -91.89 27.36 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 2.93 109.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.33 60.95 1.88 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.149 . . . . 1.76 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.4 -43.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 3.85 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 48.67 60.79 15.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.71 109.318 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.95 -174.57 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.92 110.985 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.17 138.57 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.93 110.451 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.28 -19.4 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.39 110.299 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.39 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.71 109.332 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.75 -39.13 84.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 2.12 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -70.43 -22.93 62.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 1.85 109.255 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.71 -37.77 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 2.7 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -71.42 -33.38 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.99 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.6 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 4.65 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -47.68 -48.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 1.82 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.549 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 47.4 t30 -66.34 -31.07 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 2.6 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -59.48 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.96 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 14.8 m -59.81 -40.73 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.67 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -57.43 109.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.76 109.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -99.67 -52.33 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.7 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -29.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 2.19 109.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 89.73 114.86 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.095 . . . . 0.76 111.032 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' THR . 1.9 p30 172.03 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 2.76 109.256 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 116.29 46.62 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 1.31 111.026 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 32.2 m -152.92 158.09 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 1.79 110.372 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HD13 ' CD2' ' A' ' 32' ' ' LEU . 11.8 mt -97.22 169.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.78 109.291 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 29.6 t0 -156.9 175.44 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 2.63 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -57.86 -52.29 75.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 2.97 111.016 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.97 -31.99 5.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.59 111.042 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -56.44 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.53 110.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.407 ' HE2' ' CE1' ' A' ' 19' ' ' PHE . 1.9 t80 -59.36 -41.23 88.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 2.21 110.972 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -51.96 25.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 2.76 109.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -50.49 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 1.81 110.392 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.474 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 tmt? -47.64 -60.45 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.26 111.017 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.407 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -58.01 -59.75 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 3.38 110.999 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.09 -54.57 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 1.69 109.276 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -41.32 96.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 5.28 110.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -59.84 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 3.68 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.1 65.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 4.94 111.003 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -54.88 -57.6 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 3.7 109.319 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.34 -60.38 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.6 109.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 4.37 110.427 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . 0.415 'CA ' ' HB2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.281 -0.637 . . . . 5.85 109.281 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.25 13.08 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 6.96 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -141.0 -78.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 8.4 110.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 2.8 pp -166.36 29.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 3.42 109.276 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.7 m -71.5 -38.02 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 2.71 110.397 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.19 -60.17 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 2.87 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 8' ' ' GLN . 1.6 pt-20 -64.63 -32.85 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.61 110.319 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 3.2 tp-100 -66.51 -57.71 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 3.32 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.43 -34.92 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 3.49 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.83 -58.59 4.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 1.36 109.322 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.38 -47.04 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.31 110.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -45.96 55.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 2.77 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.17 -60.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 3.59 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -71.21 -51.12 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.95 110.332 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -42.89 -46.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.7 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 62.1 t80 -35.29 -53.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 2.33 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' PHE . 3.2 t -38.16 -48.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.98 110.04 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.523 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 96.1 mt -70.7 -60.5 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.77 109.307 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.7 m-85 -41.94 -45.24 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 4.51 110.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -85.2 96.41 9.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 1.21 109.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 69.8 mmtt -75.89 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 2.77 109.331 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.7 p-10 -55.25 -44.7 75.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 4.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 82.73 36.31 16.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.75 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.69 -17.96 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 2.31 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.08 -4.08 14.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.96 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 p -133.84 143.75 48.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 2.31 110.414 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.5 mp -91.74 87.06 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 2.06 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 1.8 m -52.14 149.74 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.71 110.444 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 61.2 p -44.64 -51.69 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 1.73 110.408 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.56 -35.77 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 2.94 109.235 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 28' ' ' THR . 62.2 mt-10 -65.78 -29.91 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.94 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 63' ' ' ILE . 6.0 tt -63.0 -47.43 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 2.95 109.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.31 -22.59 67.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.68 111.042 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 24.3 m -61.76 -46.03 91.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 1.88 110.369 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 23.1 t -70.9 -54.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 2.54 109.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.1 mmt -39.67 -60.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 2.88 111.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 38' ' ' SER . 1.3 ppt_? -61.84 -35.02 77.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 5.68 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.429 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 2.4 t -46.74 -25.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.98 110.026 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.02 -60.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.6 109.361 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.47 59.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 1.83 111.073 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -130.28 -49.17 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 4.71 110.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 63.82 58.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 2.27 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 -177.66 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.68 110.986 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.5 137.83 41.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 1.59 110.402 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.72 -22.01 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.4 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.34 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.6 109.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.84 -42.83 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.48 110.294 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -70.35 -24.31 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 2.22 109.323 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 34.1 tt0 -57.22 -36.3 70.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 3.2 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -71.81 -32.79 67.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 2.02 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.0 mmm -70.29 -56.01 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 3.63 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 32' ' ' LEU . 2.9 pp -50.64 -37.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.66 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.428 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -66.23 -32.95 74.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 2.92 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.97 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -55.77 -44.98 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 1.59 109.31 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 33.1 t70 -55.54 108.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.81 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.66 -44.43 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 2.2 109.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.3 p30 -46.76 -28.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 2.04 109.348 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' OD1' ' A' ' 60' ' ' ASP . . . 93.66 108.77 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.75 110.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 170.24 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 2.27 109.314 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.62 41.02 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 1.21 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.7 m -139.09 165.23 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 1.85 110.412 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 64' ' ' ASP . 1.6 mt -98.7 164.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 1.84 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.5 t0 -151.41 158.79 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 2.39 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -51.17 -50.14 77.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 3.17 111.013 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -28.14 9.36 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.71 110.998 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.97 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 1.59 110.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' HE2' ' CE1' ' A' ' 19' ' ' PHE . 2.5 t80 -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 2.14 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -44.26 48.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.76 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -66.96 -42.67 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 1.77 110.383 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.62 -60.35 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 3.26 111.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -60.24 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 3.67 110.975 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -42.94 -57.68 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 1.71 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -61.07 -35.11 76.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.77 110.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.45 -59.16 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 3.24 109.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 22.5 ptm -60.0 -31.62 70.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 4.09 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' MET . 8.4 tttm -60.8 -59.94 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 3.27 109.319 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.6 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 3.42 109.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.67 110.441 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.283 -0.636 . . . . 8.9 109.283 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 3' ' ' GLN . 8.8 t70 -41.06 -39.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 6.35 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 2' ' ' ASP . 25.1 mt-30 -164.06 -56.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 7.3 110.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 176.32 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 3.3 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.3 m -56.85 -24.04 48.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 2.68 110.365 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 tt0 -66.19 -57.93 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 2.56 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.26 -27.16 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.1 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 3.4 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.3 pp -51.41 -33.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 4.4 109.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.85 -59.82 3.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 1.58 109.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.81 -46.16 63.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 2.4 110.276 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.86 -36.58 38.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 2.45 110.96 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -53.41 -59.3 4.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.91 109.288 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.32 -36.91 77.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 3.39 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -59.44 -46.63 88.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 1.52 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.4 t80 -36.71 -46.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 2.22 110.989 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -46.48 -46.88 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 2.88 110.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 79.4 mt -69.19 -60.84 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 1.91 109.322 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 20.1 m-85 -43.59 -43.83 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 3.88 110.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.49 97.88 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.02 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 66.6 mmtt -77.33 -54.74 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 2.65 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.6 p30 -56.65 -46.1 81.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 3.91 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 80.4 40.05 13.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.81 110.948 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -106.85 -14.79 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 1.38 109.34 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 2.88 21.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.85 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.54 136.94 45.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 2.33 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.9 mp -94.38 84.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.86 109.268 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -51.21 152.26 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.75 110.434 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.477 HG23 ' CD1' ' A' ' 52' ' ' ILE . 44.2 p -50.36 -49.82 53.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.61 110.366 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.48 71.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 3.36 109.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 53.2 mt-10 -70.4 -31.61 68.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 2.16 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 52' ' ' ILE . 19.1 tp -61.35 -47.86 83.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 3.5 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -72.48 -18.96 78.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.45 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 54.6 m -69.59 -49.36 54.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 1.66 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' HB ' ' CE ' ' A' ' 21' ' ' LYS . 7.2 p -68.12 -44.7 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 3.35 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.444 ' N ' HG11 ' A' ' 35' ' ' VAL . 7.0 mmt -53.22 -60.45 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 2.93 110.981 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 7.8 ppt_? -62.19 -31.16 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 5.53 110.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -56.92 -32.3 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 3.61 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.03 -35.03 79.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.24 109.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.74 -26.72 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 1.74 110.995 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 2.3 mm-40 -69.09 -173.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 3.59 110.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -168.18 58.06 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.84 109.258 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -75.04 -178.54 4.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.64 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -103.17 148.86 25.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 1.33 110.385 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -67.33 -19.91 65.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 3.37 110.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.26 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.6 109.309 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.91 -43.86 66.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.74 110.294 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD1' HD22 ' A' ' 32' ' ' LEU . 4.0 mm? -71.18 -20.19 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 1.88 109.308 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 52' ' ' ILE . 40.3 tt0 -58.82 -36.45 74.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 2.05 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.28 -28.55 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.91 109.272 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.02 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 3.35 111.022 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 29' ' ' THR . 2.5 pp -48.92 -43.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 1.82 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' N ' HD13 ' A' ' 52' ' ' ILE . 28.5 t30 -66.97 -32.16 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.73 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -58.92 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 2.01 110.316 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.7 m -58.02 -45.71 88.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 1.9 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 29.3 t70 -47.36 100.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.72 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.57 -57.67 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.75 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.83 -32.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 2.53 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 105.3 116.05 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 1.72 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 163.03 -75.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 3.42 109.292 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 60' ' ' ASP . . . 151.12 -43.53 0.7 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 2.31 111.062 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 8.4 m -58.83 172.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 2.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 68' ' ' PHE . 3.2 mt -114.85 109.38 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 2.13 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.598 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 11.8 m-20 -83.39 -172.11 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 3.04 109.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.3 t80 -72.52 -45.52 9.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 4.68 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.4 Cg_endo -74.93 -24.43 12.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.92 111.038 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.0 -54.81 9.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 1.83 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 63' ' ' ILE . 1.1 t80 -61.91 -41.86 98.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 2.18 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -52.29 9.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 3.97 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -63.17 -50.87 68.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 1.98 110.33 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -43.28 -60.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 3.32 110.992 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -56.42 -59.32 5.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.48 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.7 -57.91 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.9 109.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -60.72 -41.01 94.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 4.78 110.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -41.22 -53.38 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 2.77 109.294 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -42.79 88.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 5.3 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -59.8 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 4.11 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -61.36 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.61 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 3.35 110.403 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 5.93 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 162.39 -19.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 8.62 109.287 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.7 mt-30 78.79 44.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 8.58 110.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 175.23 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 3.19 109.276 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 2' ' ' ASP . 5.2 t -70.81 -38.33 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 3.49 110.435 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -58.01 -51.62 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 2.88 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 8' ' ' GLN . 5.0 pt-20 -67.08 -33.79 76.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.1 110.31 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 11.8 mm100 -70.27 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 3.24 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -19.6 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 4.21 109.308 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.62 -60.79 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 2.11 109.288 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.46 -44.57 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.45 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.2 -22.61 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.69 111.03 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -60.88 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.68 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.11 -36.22 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 3.18 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . . . -59.4 -40.66 87.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 2.13 109.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 44.8 t80 -39.69 -51.24 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 2.31 111.02 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -44.4 3.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 1.95 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.51 -58.26 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.74 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 23.2 m-30 -45.95 -39.36 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 4.13 111.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -92.35 97.66 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.89 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.06 -59.76 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 2.45 109.283 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -45.55 -57.87 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 2.29 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 34.76 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.75 110.974 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 1.8 p30 -110.69 -41.74 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.737 . . . . 1.54 109.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' CG2' ' A' ' 26' ' ' THR . . . 137.59 40.75 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 1.04 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 1.1 p -162.77 137.32 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 2.11 110.403 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 27' ' ' ILE . 2.6 mp -97.75 86.1 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 2.14 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.7 m -47.69 141.86 5.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.97 110.371 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.5 p -41.8 -51.42 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.71 110.399 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.39 84.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 3.36 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' THR . 39.3 mt-10 -65.2 -28.06 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 2.38 110.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' A' ' 48' ' ' LEU . 1.4 tm? -65.92 -39.62 90.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 3.6 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.61 -24.7 75.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.51 110.98 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -63.23 -51.08 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 1.78 110.402 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 61.5 t -54.55 -49.93 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 2.68 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.7 mmt -37.75 -55.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 2.54 111.019 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.3 mtm180 -50.4 -46.69 56.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 4.32 110.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -25.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 2.42 109.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -87.9 -47.39 8.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 2.41 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' N ' HE21 ' A' ' 41' ' ' GLN . . . 137.33 43.95 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 2.1 111.011 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -148.9 145.74 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 4.56 110.292 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -125.99 71.99 69.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 2.51 109.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.95 174.22 13.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.7 111.036 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -97.94 145.39 26.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 1.9 110.414 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -19.97 65.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.81 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.45 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.83 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.07 -40.73 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.98 110.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' A' ' 32' ' ' LEU . 4.2 mm? -71.0 -28.75 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 1.66 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 44.2 tt0 -49.31 -38.55 28.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 2.44 110.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -71.18 -30.18 66.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.06 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.6 mmt -70.44 -59.86 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.15 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.535 ' CD1' ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.46 -49.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 1.76 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.535 ' N ' ' CD1' ' A' ' 52' ' ' ILE . 24.0 t-20 -65.36 -32.57 74.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 1.8 109.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.51 -60.02 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.76 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 22.8 m -58.04 -44.79 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.58 109.31 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.5 t0 -53.22 110.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.57 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.09 -55.11 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 1.35 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -43.59 -34.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.26 109.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 98.17 107.75 2.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.9 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -170.32 -56.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 2.7 109.304 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 30.84 1.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 1.29 110.974 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -147.77 161.56 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 2.26 110.405 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 64' ' ' ASP . 3.8 mt -90.65 159.7 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.83 109.263 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.8 m-20 -140.91 -173.89 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.61 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.91 -49.11 10.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.91 110.986 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.01 -29.45 8.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.58 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -70.29 -60.14 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 1.9 110.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.1 t80 -56.25 -36.69 68.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 2.21 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.75 -50.28 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 2.71 109.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -70.4 -48.61 55.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 2.37 110.366 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.445 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -43.13 -59.8 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 4.05 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -56.43 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 3.5 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.35 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 1.93 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -60.88 -38.68 86.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 4.51 110.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -58.49 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 4.08 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -43.76 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 5.44 111.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -52.33 66.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 3.28 109.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -58.73 7.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 2.56 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 4.44 110.394 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.272 -0.64 . . . . 2.3999999999999999 109.272 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -71.67 -29.85 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.73 110.376 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.81 -60.82 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 3.4500000000000002 110.346 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.58 ' OE2' HD13 ' A' ' 4' ' ' LEU . 3.5 pt-20 -56.19 -37.01 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 2.5899999999999999 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.32 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 3.0299999999999998 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -45.08 -41.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 2.8500000000000001 109.337 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.18 -58.85 4.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.5 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.43 -45.15 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 2.6000000000000001 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -28.14 18.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.8500000000000001 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -66.23 -55.25 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.8 109.286 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.21 -35.03 71.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 3.29 110.304 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -66.52 -46.64 75.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.69999999999999996 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CG ' ' CE2' ' A' ' 65' ' ' PHE . 14.3 t80 -37.6 -39.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.9399999999999999 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -51.29 -48.64 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.1499999999999999 110.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 14.6 mt -70.13 -59.97 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.55000000000000004 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 35' ' ' VAL . 19.2 m-85 -42.17 -35.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 2.8199999999999998 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 2.7 t0 -89.04 89.98 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.1000000000000001 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HE3' ' HB ' ' A' ' 34' ' ' THR . 55.2 mmtt -73.7 -58.92 2.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 1.6399999999999999 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 20.6 p-10 -55.39 -48.98 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 3.98 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 89.73 42.46 5.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.155 . . . . 0.83999999999999997 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' OD1' ' OD2' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -115.85 11.65 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 2.2799999999999998 109.321 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.75 -12.95 55.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 1.28 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.585 HG23 ' OD1' ' A' ' 64' ' ' ASP . 19.5 m -111.48 142.27 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 2.02 110.384 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.8 mp -103.61 103.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.69999999999999996 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.1 m -76.43 152.13 36.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.65000000000000002 110.411 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.649 HG22 HG12 ' A' ' 52' ' ' ILE . 62.1 p -37.69 -40.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.59999999999999998 110.412 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -64.99 -51.63 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 3.6000000000000001 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 34.4 mt-10 -49.38 -34.84 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 2.27 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.946 HD12 HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -70.95 -56.56 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 1.6799999999999999 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.35 -21.04 59.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.46000000000000002 111.001 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' HE3' ' A' ' 21' ' ' LYS . 91.9 m -67.88 -53.68 24.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.65000000000000002 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 19' ' ' PHE . 40.1 t -57.11 -53.46 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.4099999999999999 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.76 -43.92 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 2.3100000000000001 110.977 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mtt180 -58.76 -44.86 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 4.6299999999999999 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -53.4 -19.83 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 109.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.5 mt -89.22 16.37 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 2.1099999999999999 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 88.8 -41.93 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 2.2599999999999998 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -49.95 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 4.1699999999999999 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -154.39 64.83 4.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.78 109.3 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.95 169.07 23.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.66000000000000003 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -112.26 143.24 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.03 110.444 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -20.73 9.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 2.6299999999999999 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.74 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.55000000000000004 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -38.62 73.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 2.0899999999999999 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.55 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -70.84 -24.72 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.68999999999999995 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.54 -35.65 72.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.6000000000000001 110.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.88 -33.85 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.77 109.323 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.3 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 3.4399999999999999 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 63' ' ' ILE . 2.8 pp -47.97 -46.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.44 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.772 ' N ' HD12 ' A' ' 52' ' ' ILE . 54.5 t30 -62.34 -34.13 76.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 2.1499999999999999 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -59.95 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.1899999999999999 110.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG3' ' A' ' 71' ' ' MET . 20.6 m -58.31 -48.62 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.53000000000000003 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' N ' HG23 ' A' ' 55' ' ' VAL . 25.5 t70 -43.88 108.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.78000000000000003 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.44 -57.18 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.70999999999999996 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -39.5 -35.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 2.0800000000000001 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.58 109.63 2.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.91000000000000003 111.056 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 3.0 p30 176.88 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 2.8100000000000001 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 119.36 45.51 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 1.29 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -152.88 166.35 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 110.437 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.946 HD11 HD12 ' A' ' 32' ' ' LEU . 1.2 mt -106.54 178.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.79000000000000004 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.1 m-20 -166.88 176.77 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 3.1400000000000001 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.84 -50.77 86.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 2.2400000000000002 110.986 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.786 . . . . 0.66000000000000003 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.94 -60.52 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.53 110.265 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.5 t80 -51.82 -45.58 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.5600000000000001 110.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -43.58 -45.55 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.7 109.302 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -64.0 -46.73 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.68000000000000005 110.431 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -51.1 -59.85 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.6899999999999999 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.0 -55.08 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.5 111.02 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.85 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.66000000000000003 109.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -20.62 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.79 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.63 -57.58 11.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 2.48 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -61.35 -26.99 68.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 5.5199999999999996 110.983 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.1 tppp? -60.61 -55.53 32.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 2.6000000000000001 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -59.99 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.8599999999999999 109.359 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 2.96 110.391 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.717 HD12 ' CD ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.301 -0.629 . . . . 2.8399999999999999 109.301 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 9' ' ' ILE . 3.4 m -37.47 -32.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.6599999999999999 110.414 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.4 tt0 -62.52 -60.36 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 2.3799999999999999 110.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -70.71 -28.31 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 2.4100000000000001 110.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.717 ' CD ' HD12 ' A' ' 4' ' ' LEU . 1.3 mp0 -70.11 -59.53 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 4.0800000000000001 110.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 5' ' ' THR . 2.0 pp -55.35 -19.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 3.1800000000000002 109.265 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -69.16 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.54000000000000004 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.5 -44.86 63.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 2.6600000000000001 110.257 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 m-85 -50.2 -32.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 2.0600000000000001 110.974 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -57.61 -59.38 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 2.1200000000000001 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -31.53 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 3.9900000000000002 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -65.63 -43.28 90.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.63 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 27' ' ' ILE . 28.5 t80 -39.06 -42.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 1.77 111.041 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -49.59 -53.87 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.5900000000000001 109.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -67.89 -59.91 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.67000000000000004 109.26 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.9 m-85 -42.09 -45.84 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.8700000000000001 110.996 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 8.7 t0 -86.04 100.06 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0800000000000001 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 55.4 mmtt -73.84 -57.84 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 1.6499999999999999 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -51.0 -65.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 2.5600000000000001 109.3 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.59 41.99 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.76000000000000001 110.995 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -111.2 -21.4 11.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 1.48 109.328 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 26' ' ' THR . . . 116.79 32.49 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.94999999999999996 111.058 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 25' ' ' GLY . 5.2 p -158.94 128.25 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 1.0600000000000001 110.434 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.0 mp -88.8 79.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.69999999999999996 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m -52.29 154.34 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.66000000000000003 110.431 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 45.0 p -45.08 -43.76 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.45000000000000001 110.4 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -63.0 -41.95 99.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.3999999999999999 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 20' ' ' ASP . 53.4 mt-10 -57.51 -41.72 81.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 2.0299999999999998 110.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -63.53 -44.18 94.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.6499999999999999 109.347 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.18 -23.72 77.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.65000000000000002 110.982 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.2 m -69.91 -60.19 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.62 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 36' ' ' MET . 11.8 p -50.7 -51.93 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 2.0099999999999998 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.503 ' N ' HG13 ' A' ' 35' ' ' VAL . 8.5 mmm -41.64 -45.41 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 2.6000000000000001 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 1.2 mtm105 -61.36 -46.36 90.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 3.3100000000000001 110.349 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 t -57.71 -19.15 25.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.4199999999999999 110.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.93 23.57 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 1.9199999999999999 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.26 -46.23 3.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.525 1.141 . . . . 1.99 111.028 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 53.2 mm-40 -52.59 -174.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 3.3100000000000001 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.6 t30 -163.65 60.6 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.8100000000000001 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.99 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.82999999999999996 111.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.713 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.0 p -102.0 152.57 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.79000000000000004 110.383 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.1 -19.33 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 3.02 110.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -60.22 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.51000000000000001 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.19 -38.13 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 2.2200000000000002 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.76 -29.08 65.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.52000000000000002 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -53.52 -36.97 62.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.96 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -35.09 71.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 2.3100000000000001 109.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -53.82 12.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 2.4900000000000002 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.5 pp -52.86 -41.42 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.37 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 52' ' ' ILE . 37.4 t30 -67.35 -30.94 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.7 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.67 -57.92 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 2.73 110.241 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 71' ' ' MET . 6.2 m -60.83 -37.26 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.45000000000000001 109.355 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.12 109.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.83999999999999997 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 -54.24 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.55000000000000004 109.257 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 20.3 p-10 -45.8 -31.71 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 2.6800000000000002 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 107.36 1.45 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.14 . . . . 0.72999999999999998 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.9 p30 176.26 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.8700000000000001 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.29 42.42 0.7 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 1.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 21.4 m -140.39 167.06 23.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.77000000000000002 110.396 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 2.5 mt -107.48 165.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.65000000000000002 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.7 t0 -158.04 177.49 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 2.77 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.07 -50.58 83.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 2.5099999999999998 111.023 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.07 -28.68 8.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.79000000000000004 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.4 -59.8 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.53 110.309 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.62 -38.63 81.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.6799999999999999 110.961 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -42.3 -52.93 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.9199999999999999 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -65.88 -50.34 64.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.83999999999999997 110.426 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.74 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -38.58 -60.91 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.138 . . . . 2.3799999999999999 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . 7.2 tpt -60.54 -60.18 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 2.8300000000000001 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.08 -58.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.67000000000000004 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.49 -33.66 72.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 4.21 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -46.79 -59.15 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 2.6699999999999999 109.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -53.3 -42.62 66.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 3.8599999999999999 111.001 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -60.08 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 2.9900000000000002 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.94 -61.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 2.8399999999999999 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 76' ' ' MET . 12.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 2.2999999999999998 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.944 HD22 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.281 -0.637 . . . . 2.7799999999999998 109.281 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.944 ' N ' HD22 ' A' ' 4' ' ' LEU . 12.6 p -37.58 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 2.5800000000000001 110.389 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 3.2 tm-20 -62.59 -57.57 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.1100000000000003 110.317 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.3 pt-20 -69.79 -36.98 76.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 2.1400000000000001 110.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.7 mm-40 -64.44 -54.16 36.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 3.0600000000000001 110.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 5' ' ' THR . 6.6 mm -49.89 -39.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 2.5 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.33 -56.95 11.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.63 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.97 -47.33 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.9199999999999999 110.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -47.35 -39.6 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 2.2799999999999998 111.017 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -58.05 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.48 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -38.2 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 3.5800000000000001 110.354 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -56.07 -48.7 75.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.758 ' CD1' ' CE2' ' A' ' 65' ' ' PHE . 60.2 t80 -37.3 -52.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.8600000000000001 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -56.18 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.3799999999999999 109.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.02 -52.69 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.73999999999999999 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.775 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.7 t80 -42.72 -41.04 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 5.5999999999999996 110.989 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.75 102.97 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 1.0900000000000001 109.278 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HE2' HG22 ' A' ' 35' ' ' VAL . 65.4 mmtt -75.58 -43.66 47.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.6299999999999999 109.264 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.18 -48.16 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 2.52 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.35 44.17 5.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.78000000000000003 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.4 p30 -120.45 29.6 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 2.0099999999999998 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.92 44.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.98999999999999999 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -137.45 123.81 20.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.805 . . . . 1.26 110.388 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.4 mp -99.68 94.02 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.97999999999999998 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -57.63 151.79 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.82999999999999996 110.433 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.597 ' HA ' HG21 ' A' ' 52' ' ' ILE . 67.5 p -43.43 -52.2 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.57999999999999996 110.435 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.24 -39.09 85.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 2.4700000000000002 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 2.8 mt-10 -56.07 -31.84 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 1.6699999999999999 110.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.048 HD12 HD11 ' A' ' 63' ' ' ILE . 3.7 tt -66.33 -51.72 54.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.6100000000000001 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.66 -26.48 60.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.62 111.009 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -63.18 -44.82 94.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.72999999999999998 110.394 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 19' ' ' PHE . 31.3 t -68.89 -50.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 1.47 109.26 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mmt -49.61 -60.25 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 2.1699999999999999 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -62.61 -35.27 79.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 3.48 110.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -53.83 -21.58 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 2.5699999999999998 110.001 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.89 -70.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.4500000000000002 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.64 34.8 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 1.74 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -133.93 -173.19 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 2.96 110.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.9 t30 -166.39 61.67 0.68 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.8799999999999999 109.338 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.51000000000000001 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.678 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -100.03 151.03 21.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.56000000000000005 110.398 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.7 -21.5 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.9100000000000001 110.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.32 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.46999999999999997 109.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.18 -40.88 62.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.6299999999999999 110.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 44' ' ' THR . 4.3 mm? -70.45 -29.84 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.52000000000000002 109.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.39 -38.05 65.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 2.25 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.68 -33.29 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.8799999999999999 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 mtt -70.53 -54.97 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 3.48 111.031 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -51.99 -33.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.55000000000000004 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.829 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.3 t30 -61.46 -33.49 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 1.9299999999999999 109.346 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.97 -58.5 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.1299999999999999 110.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.511 HG21 HG23 ' A' ' 63' ' ' ILE . 2.1 m -57.8 -39.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.62 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.74 109.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.02 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.02 -57.35 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.05 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -43.01 -34.76 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.8300000000000001 109.294 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.71 105.13 2.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.89000000000000001 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 168.3 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 2.73 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.58 -50.57 0.58 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.491 1.12 . . . . 2.73 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 27' ' ' ILE . 99.4 m -51.76 162.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 1.04 110.41 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.048 HD11 HD12 ' A' ' 32' ' ' LEU . 1.7 mt -102.58 178.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.84999999999999998 109.276 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 63' ' ' ILE . 14.9 t0 -152.63 177.77 10.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 2.8500000000000001 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.758 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -61.93 -52.98 64.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 2.2599999999999998 110.953 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.956 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.73999999999999999 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE1' ' OD2' ' A' ' 58' ' ' ASP . 38.4 mt-10 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.8500000000000001 110.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 1.2 t80 -64.76 -45.21 87.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 2.0099999999999998 110.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.96 -33.16 36.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 1.8500000000000001 109.3 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -71.59 -33.22 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.72999999999999998 110.4 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -59.75 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.77 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.493 ' HE3' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.53 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 6.9800000000000004 110.987 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' N ' ' SD ' ' A' ' 72' ' ' MET . . . -60.58 -55.85 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.1000000000000001 109.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 4.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -59.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 3.1699999999999999 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.628 ' HA ' HG22 ' A' ' 79' ' ' THR . 25.6 mtt -53.57 -42.42 67.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 3.1400000000000001 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 2.5499999999999998 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -59.96 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 3.8399999999999999 109.353 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.628 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 2.8500000000000001 110.395 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.334 -0.617 . . . . 2.8100000000000001 109.334 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 m -71.68 -58.87 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 2.1800000000000002 110.39 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.3 -52.43 63.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 3.1499999999999999 110.328 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 mt-10 -51.72 -49.55 62.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 3.8599999999999999 110.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.455 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.3 mm-40 -66.24 -57.12 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 2.8799999999999999 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 16.7 mm -39.42 -39.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 2.5 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -58.42 -57.29 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.63 109.268 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.36 -48.16 68.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 2.79 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 72' ' ' MET . 1.2 m-85 -53.99 -45.68 71.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.9299999999999999 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -60.43 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 2.8900000000000001 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.63 -50.72 56.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 3.2599999999999998 110.273 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.648 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -46.01 -46.52 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.60999999999999999 109.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.2 t80 -36.28 -45.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.9299999999999999 111.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.67 -53.37 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.5800000000000001 110.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' ALA . 77.2 mt -70.82 -56.27 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.65000000000000002 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.0 m-85 -45.37 -42.55 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 2.8799999999999999 111.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -89.64 99.68 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.97999999999999998 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.643 ' HE2' HG22 ' A' ' 35' ' ' VAL . 66.3 mmtt -71.73 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.6799999999999999 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.35 -53.26 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 2.3700000000000001 109.32 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.91 33.74 6.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.81000000000000005 110.946 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -108.45 9.48 27.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.8400000000000001 109.315 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.84 50.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.6699999999999999 110.99 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' CG2' ' A' ' 62' ' ' THR . 4.4 m -102.62 136.51 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 1.75 110.388 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.8 mp -103.14 94.31 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.67000000000000004 109.352 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -62.95 157.21 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.53000000000000003 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 29' ' ' THR . 44.0 p -53.23 -50.49 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.55000000000000004 110.402 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.78 -36.96 72.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 2.4199999999999999 109.289 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.52 -32.72 73.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.6599999999999999 110.329 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.942 HD12 HD11 ' A' ' 63' ' ' ILE . 1.9 tt -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.6399999999999999 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.58 -19.34 70.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.5 110.969 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -69.56 -42.41 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.62 110.391 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.826 HG21 ' HA ' ' A' ' 19' ' ' PHE . 22.0 t -70.79 -51.29 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.3999999999999999 109.37 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -43.54 -60.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 2.0299999999999998 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -61.29 -39.36 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 4.5099999999999998 110.29 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.38 -26.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.6599999999999999 110.005 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.68 -44.01 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.8200000000000001 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 164.59 -32.16 0.25 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.105 . . . . 1.6599999999999999 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 mt-30 -61.06 -172.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 2.9900000000000002 110.261 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 t-20 -167.51 60.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.8200000000000001 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.07 173.62 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.62 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.1 p -100.97 150.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.63 110.385 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.38 -19.93 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 2.6800000000000002 110.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.34 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.46999999999999997 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -51.56 -42.84 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 3.23 110.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.51 -23.79 62.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.59999999999999998 109.338 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.4 -36.33 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 2.4300000000000002 110.3 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -71.13 -33.83 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.8100000000000001 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -70.56 -56.74 5.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 2.5299999999999998 111.039 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.535 HG22 HD11 ' A' ' 63' ' ' ILE . 2.6 pp -51.51 -39.51 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.5 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' HD12 ' A' ' 52' ' ' ILE . 18.3 t30 -64.93 -32.49 74.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.54 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -70.59 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 2.9900000000000002 110.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 71' ' ' MET . 12.9 m -58.83 -44.04 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.68000000000000005 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.79 107.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.85999999999999999 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -105.74 -46.87 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.80000000000000004 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -41.76 -30.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 2.48 109.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 95.09 99.31 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.91000000000000003 111.009 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 176.22 -67.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 2.2200000000000002 109.342 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.93 43.91 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 1.1699999999999999 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.556 ' CG2' HG22 ' A' ' 26' ' ' THR . 17.7 m -140.18 173.3 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.65000000000000002 110.412 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 32' ' ' LEU . 15.8 mt -108.72 170.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.69999999999999996 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 17.7 t0 -163.24 171.61 15.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.7000000000000002 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -55.03 -50.84 84.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 2.4300000000000002 110.998 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -31.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.81000000000000005 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.27 -60.43 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 2.02 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -54.82 -34.09 62.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 1.5700000000000001 111.031 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -51.0 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.5299999999999998 109.287 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.1 m -67.36 -42.92 82.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.95999999999999996 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.539 ' HB2' HG11 ' A' ' 55' ' ' VAL . 5.0 tpt -50.81 -60.51 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 2.21 110.992 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -56.15 -60.12 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.8599999999999999 111.009 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -44.92 -56.1 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.01 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -60.53 -32.11 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 5.7000000000000002 110.279 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -59.3 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 2.9500000000000002 109.252 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 3.7 ptm -60.31 -25.37 65.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 3.5600000000000001 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -59.35 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 3.04 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -44.78 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 5.0499999999999998 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 2.98 110.407 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.822 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 2.1699999999999999 109.308 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.735 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.0 p -53.55 -45.35 69.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 3.7599999999999998 110.452 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.66 -43.48 93.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 3.8599999999999999 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -71.56 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 3.0899999999999999 110.312 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.4 pt20 -49.62 -40.09 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 6.1299999999999999 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 5' ' ' THR . 11.6 mm -70.46 -29.16 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 2.9300000000000002 109.315 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.5 -43.3 77.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0600000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.92 -47.64 57.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 4.5999999999999996 110.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 10.5 m-85 -57.62 -28.41 63.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 2.3900000000000001 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -60.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 2.0800000000000001 109.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.93 -32.77 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 5.6900000000000004 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -66.87 -56.25 11.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.95999999999999996 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 40.5 t80 -36.55 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.79 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.23 -53.48 56.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.54 110.008 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.2 mt -70.26 -51.31 31.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.83999999999999997 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.3 m-85 -55.51 -35.8 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 3.5 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 27.9 t0 -96.59 39.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.6799999999999999 109.285 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -38.14 -45.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.78 109.279 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' CB ' ' OE2' ' A' ' 31' ' ' GLU . 25.4 m-20 -49.34 -53.46 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 2.2799999999999998 109.315 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 88.02 39.81 6.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.137 . . . . 0.81000000000000005 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 0.9 OUTLIER -112.14 -35.71 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 2.7000000000000002 109.336 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.77 -4.65 5.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.15 . . . . 0.97999999999999998 111.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.527 ' C ' HD12 ' A' ' 27' ' ' ILE . 26.6 p -122.31 149.62 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 1.22 110.438 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -104.25 77.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.72999999999999998 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.755 ' HA ' HG23 ' A' ' 62' ' ' THR . 24.3 m -45.63 141.83 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.53000000000000003 110.418 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 p -41.87 -36.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.57999999999999996 110.449 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' H ' HG22 ' A' ' 28' ' ' THR . 16.0 pttp -62.73 -47.11 85.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 4.2199999999999998 109.328 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.3 mt-10 -62.58 -31.22 72.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.79 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 HD12 ' A' ' 48' ' ' LEU . 1.7 tm? -63.52 -53.18 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 2.3500000000000001 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.08 -28.5 70.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.47999999999999998 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -62.26 -49.09 77.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.59999999999999998 110.389 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 31' ' ' GLU . 47.7 t -57.5 -50.01 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.4399999999999999 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' VAL . 12.0 mmt -37.06 -54.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.6200000000000001 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -49.44 -48.34 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 4.9699999999999998 110.311 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -45.88 -29.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.71 109.946 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 88.0 mt -89.45 -33.68 16.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.5700000000000001 109.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 142.58 -48.98 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.9099999999999999 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -49.86 139.34 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 4.6200000000000001 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.417 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 m-80 -132.02 64.03 70.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 4.0800000000000001 109.273 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.0 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.777 . . . . 0.76000000000000001 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -109.05 141.43 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.56000000000000005 110.367 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -19.8 35.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 3.0299999999999998 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -57.73 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.45000000000000001 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.24 -43.54 70.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.97 110.316 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 32' ' ' LEU . 3.9 mm? -70.86 -24.49 62.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.55000000000000004 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.7 tt0 -51.39 -37.76 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 2.1299999999999999 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.37 -32.17 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.8700000000000001 109.276 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.7 -57.97 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.6800000000000002 111.034 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -49.64 -43.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.34000000000000002 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.765 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 m-20 -65.0 -33.01 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.0800000000000001 109.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.29 -60.19 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 2.3300000000000001 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 56' ' ' ASP . 12.0 m -56.65 -46.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.40999999999999998 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.4 t70 -50.48 108.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.77000000000000002 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.42 -58.16 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.60999999999999999 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 1.2 p30 -39.86 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 2.1600000000000001 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 101.71 1.82 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.81000000000000005 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 2.75 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.729 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 118.81 23.3 3.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 1.29 111.028 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.755 HG23 ' HA ' ' A' ' 28' ' ' THR . 39.1 m -135.75 161.02 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.84999999999999998 110.376 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 52' ' ' ILE . 8.6 mt -89.35 168.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.66000000000000003 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' N ' HG22 ' A' ' 63' ' ' ILE . 5.8 t0 -151.33 174.25 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.3500000000000001 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -62.26 -52.31 67.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 2.2200000000000002 110.984 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.845 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -26.47 10.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.63 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 70.8 mt-10 -70.39 -60.35 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.54 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -55.36 -39.88 70.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.73 111.028 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -47.96 -43.44 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 2.2000000000000002 109.324 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 3.0 m -71.11 -41.0 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.67000000000000004 110.392 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.03 -60.14 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 2.79 110.988 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -60.47 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 2.7799999999999998 111.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.52 -56.88 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.79000000000000004 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -60.84 -40.25 92.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 3.8199999999999998 110.302 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -45.75 -59.33 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 109.274 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -43.64 55.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 3.46 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -56.95 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 2.3900000000000001 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -62.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 2.7999999999999998 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 75' ' ' LYS . 8.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.98 110.427 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.49 ' C ' HD13 ' A' ' 4' ' ' LEU . 3.4 tm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.32 -0.622 . . . . 2.3199999999999998 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 HG13 ' A' ' 9' ' ' ILE . 17.0 m -45.47 -24.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 2.1099999999999999 110.398 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.6 tt0 -56.43 -61.49 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.75 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -32.64 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 2.2799999999999998 110.322 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 1.4 tp60 -63.51 -49.64 72.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 3.6200000000000001 110.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 5' ' ' THR . 5.7 mt -49.3 -46.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.52 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.83 -47.85 42.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.56000000000000005 109.304 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.91 -49.26 47.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 2.5099999999999998 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 8' ' ' GLN . 15.3 m-85 -55.56 -44.95 77.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 3.0299999999999998 111.052 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 3.5899999999999999 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ALA . 2.0 mm-40 -71.7 -56.25 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 3.6299999999999999 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -39.35 -46.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.68000000000000005 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 64.5 t80 -34.38 -57.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 1.8300000000000001 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' PHE . 1.1 t -37.55 -47.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.3100000000000001 109.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.0 mt -70.28 -58.21 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 1.1000000000000001 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' HG21 ' A' ' 35' ' ' VAL . 17.4 m-85 -44.14 -54.35 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 2.96 110.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -76.28 97.76 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.92000000000000004 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -74.35 -55.17 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 1.6399999999999999 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.75 -58.48 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 2.23 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.67 36.28 4.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.69999999999999996 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.75 -38.66 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 1.76 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 26' ' ' THR . . . 129.93 39.68 0.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.94999999999999996 111.05 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 25' ' ' GLY . 10.1 p -158.8 123.24 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 1.1499999999999999 110.399 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.4 mp -86.73 79.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.79000000000000004 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.687 HG21 ' HE3' ' A' ' 30' ' ' LYS . 52.7 m -46.06 150.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.54000000000000004 110.408 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.701 ' HA ' HG21 ' A' ' 52' ' ' ILE . 62.6 p -48.84 -48.93 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.52000000000000002 110.357 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HE3' HG21 ' A' ' 28' ' ' THR . 8.0 ptpt -65.96 -35.22 80.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 3.3399999999999999 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.67 -28.73 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 2.0899999999999999 110.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD22 HD11 ' A' ' 63' ' ' ILE . 33.9 tp -65.71 -49.45 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 2.1899999999999999 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.14 -34.85 67.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.52000000000000002 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -55.13 -55.21 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.59999999999999998 110.383 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 19' ' ' PHE . 79.2 t -51.17 -53.6 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 1.3600000000000001 109.291 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -41.39 -51.53 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 1.6200000000000001 110.953 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 0.8 OUTLIER -59.27 -40.41 85.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 5.5099999999999998 110.312 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -56.31 -23.06 34.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.6399999999999999 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.6 -43.19 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.6299999999999999 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.55 44.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 1.7 110.969 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -140.02 -174.73 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 3.1000000000000001 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -156.41 62.31 2.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.78 109.277 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.96 166.58 28.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.60999999999999999 111.004 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -101.35 152.77 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.58999999999999997 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -19.64 65.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.0299999999999998 110.271 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.68 -60.44 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.66000000000000003 109.358 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.19 -44.44 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.78 110.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -71.07 -24.99 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.5 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 24.0 tt0 -49.42 -39.55 33.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 2.46 110.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.53 -32.93 70.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 2.1200000000000001 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.0 mmt -70.52 -59.09 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.7400000000000002 110.998 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.63 -46.74 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.40999999999999998 109.291 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.938 ' N ' HD12 ' A' ' 52' ' ' ILE . 63.6 t-20 -65.3 -32.69 74.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.78 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.62 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.73 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 56' ' ' ASP . 33.9 m -53.63 -50.55 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.48999999999999999 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.1 t70 -54.07 106.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 1.5 109.295 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -88.24 -55.7 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.70999999999999996 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.93 -33.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 2.3199999999999998 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.43 98.06 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.115 . . . . 1.1499999999999999 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -164.2 -55.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 0.762 . . . . 2.8599999999999999 109.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.56 36.81 0.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 1.27 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 28' ' ' THR . 24.7 m -146.77 154.79 41.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.63 110.422 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.691 HD11 HD22 ' A' ' 32' ' ' LEU . 16.2 mt -100.54 171.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.68999999999999995 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.6 m-20 -152.86 -172.08 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 3.1800000000000002 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -63.44 -49.85 76.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 2.3799999999999999 110.984 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 1.3700000000000001 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 73.7 mt-10 -43.1 -57.11 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.6200000000000001 110.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.9 t80 -58.9 -52.57 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.5700000000000001 110.951 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.33 -41.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.79 109.26 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -69.58 -45.47 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 1.02 110.418 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -50.5 -60.26 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 2.4199999999999999 110.953 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -57.49 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 2.9399999999999999 111.018 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.72 -54.54 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.69999999999999996 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.09 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 3.4100000000000001 110.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -58.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 3.5800000000000001 109.359 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.563 ' HA ' HG22 ' A' ' 79' ' ' THR . 11.8 mtp -55.89 -45.47 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 3.6099999999999999 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -55.93 -57.13 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 2.8100000000000001 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.61 -60.97 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 3.5699999999999998 109.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.23 110.412 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.316 -0.624 . . . . 2.3100000000000001 109.316 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 t -41.02 -33.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.1299999999999999 110.405 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.78 -58.43 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 2.5800000000000001 110.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.28 -28.51 65.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.9099999999999999 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -69.68 -56.89 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 2.8599999999999999 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 9' ' ' ILE . 23.5 mm -49.78 -39.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.8900000000000001 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.05 -58.0 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.56000000000000005 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.67 -46.96 62.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 2.5099999999999998 110.326 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -49.32 -39.09 30.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.97 110.999 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -60.13 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 2.3999999999999999 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.84 -40.49 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 3.0499999999999998 110.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -52.48 -57.13 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 0.68000000000000005 109.253 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.8 t80 -34.84 -52.81 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.0800000000000001 111.04 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 t -39.3 -47.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.21 109.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' ALA . 21.3 mt -70.81 -60.28 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.67000000000000004 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -42.72 -43.01 3.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.7799999999999998 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.24 98.93 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 38.2 mmtt -70.04 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.6399999999999999 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -43.59 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 3.3799999999999999 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.4 40.91 0.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.89000000000000001 110.969 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -112.1 -31.23 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 1.5800000000000001 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 26' ' ' THR . . . 124.76 38.07 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.93999999999999995 111.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' GLY . 17.2 p -158.21 133.38 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 1.3400000000000001 110.457 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.5 mp -94.08 77.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.81000000000000005 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.49 ' HA ' HG23 ' A' ' 62' ' ' THR . 18.8 m -47.57 153.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.62 110.384 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.711 ' HA ' HG21 ' A' ' 52' ' ' ILE . 47.2 p -48.56 -51.1 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.66000000000000003 110.401 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -62.77 -37.38 86.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 2.6000000000000001 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.87 -26.44 68.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 2.2000000000000002 110.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.869 HD11 HD12 ' A' ' 48' ' ' LEU . 1.6 tm? -70.69 -43.99 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 2.1499999999999999 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.89 -19.14 78.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.52000000000000002 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 21' ' ' LYS . 89.5 m -66.0 -60.47 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.64000000000000001 110.358 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.731 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.8 p -54.83 -52.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.8799999999999999 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 35' ' ' VAL . 10.6 mmt -45.58 -49.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.1400000000000001 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -58.45 -48.2 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 5.9699999999999998 110.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 t -59.07 -19.37 43.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.5800000000000001 110.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.0 mt -89.79 35.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 2.4100000000000001 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLN . . . 80.59 -49.94 3.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 1.6499999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -49.05 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 3.9500000000000002 110.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.562 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.9 t30 -165.08 57.09 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.78 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 176.93 9.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.811 . . . . 0.63 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -105.65 150.68 25.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.55000000000000004 110.366 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -21.25 65.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.1400000000000001 110.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -59.55 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.39000000000000001 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.73 -45.32 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 2.02 110.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 HD11 ' A' ' 32' ' ' LEU . 4.2 mm? -70.59 -23.07 62.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.45000000000000001 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 21.9 tt0 -53.95 -37.65 64.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.5900000000000001 110.261 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.26 -31.01 66.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.1200000000000001 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mmm -70.46 -59.4 2.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.2200000000000002 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.006 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.58 -48.77 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.39000000000000001 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 1.006 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -62.93 -33.85 76.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 2.23 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.16 -59.67 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.8600000000000001 110.292 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.582 HG11 ' CG ' ' A' ' 71' ' ' MET . 17.4 m -59.02 -42.85 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.46999999999999997 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 29.1 t70 -50.22 108.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.73999999999999999 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.71 -44.41 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.57999999999999996 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 15.8 p-10 -51.15 -27.46 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.4199999999999999 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.67 109.63 1.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.81000000000000005 110.957 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 3.4 p-10 170.59 -54.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 2.5699999999999998 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.34 46.12 0.38 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 1.29 111.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 28' ' ' THR . 21.7 m -146.8 167.15 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.67000000000000004 110.354 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG22 ' A' ' 52' ' ' ILE . 22.3 mt -111.36 173.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.56999999999999995 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 63' ' ' ILE . 67.6 m-20 -168.0 -174.83 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 2.7000000000000002 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -51.86 -50.0 80.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.7000000000000002 111.005 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.1 Cg_endo -75.06 -64.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.564 1.823 . . . . 1.3500000000000001 110.945 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PRO . 55.7 mt-10 -34.75 -54.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.75 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.3 t80 -65.18 -48.55 73.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.54 111.035 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.43 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 2.0699999999999998 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -69.44 -40.86 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.79000000000000004 110.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.582 ' CG ' HG11 ' A' ' 55' ' ' VAL . 7.5 ttt -54.5 -58.66 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.4399999999999999 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LYS . 15.8 ttm -58.64 -59.22 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 3.3300000000000001 111.029 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.36 -55.09 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.93999999999999995 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 3.8 mmm180 -60.73 -26.26 67.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 6.25 110.271 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.73 -58.87 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 2.1600000000000001 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.751 ' HA ' HG22 ' A' ' 79' ' ' THR . 1.7 ptt? -61.61 -24.11 66.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 3.9500000000000002 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' MET . 16.1 ttmt -60.48 -60.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 3.6499999999999999 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.05 -59.99 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 4.6200000000000001 109.262 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.3599999999999999 110.429 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 8' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 2.2200000000000002 109.276 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -39.72 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.71 110.43 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -63.27 -60.29 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 2.5299999999999998 110.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pt-20 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 2.5699999999999998 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -70.55 -61.23 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 4.3399999999999999 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 5' ' ' THR . 2.4 pp -52.73 -25.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 3.4500000000000002 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.08 -60.25 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.53000000000000003 109.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.55 -45.61 65.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 2.6000000000000001 110.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.44 ' CG ' ' OE1' ' A' ' 8' ' ' GLN . 1.6 m-85 -48.17 -31.55 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.6200000000000001 111.046 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -57.67 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.0299999999999998 109.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.5 -38.07 71.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.2000000000000002 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -58.88 -49.24 78.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.71999999999999997 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 12.3 t80 -36.09 -49.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 2.0099999999999998 111.012 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 t -41.8 -45.62 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.4199999999999999 109.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' ALA . 24.7 mt -70.07 -60.31 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.58999999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HA ' HG21 ' A' ' 35' ' ' VAL . 25.1 m-85 -46.45 -51.69 14.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 2.7000000000000002 110.972 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' OD2' ' CA ' ' A' ' 25' ' ' GLY . 5.7 t0 -88.4 60.72 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.5700000000000001 109.256 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 34' ' ' THR . 0.3 OUTLIER -63.66 -17.21 62.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 1.6200000000000001 109.317 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -44.8 73.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 2.0800000000000001 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.35 36.03 13.32 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.87 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -128.29 12.07 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 1.6599999999999999 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' CA ' ' OD2' ' A' ' 20' ' ' ASP . . . 73.73 2.14 60.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 1.03 110.966 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.524 ' CG2' HG21 ' A' ' 62' ' ' THR . 58.3 m -116.98 133.01 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 2.1899999999999999 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mp -103.21 84.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.66000000000000003 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.7 m -55.52 147.57 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.45000000000000001 110.385 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 52' ' ' ILE . 71.9 p -41.92 -44.57 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.57999999999999996 110.422 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -61.44 -42.67 99.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 2.54 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' THR . 25.8 mt-10 -63.6 -30.11 71.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.1299999999999999 110.249 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 32' ' ' LEU . 1.6 tt -63.63 -52.4 61.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.6100000000000001 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.06 95.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 1.01 111.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.759 HG21 ' HD3' ' A' ' 21' ' ' LYS . 89.4 m -41.6 -54.66 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.58999999999999997 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 19' ' ' PHE . 13.1 t -62.16 -57.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.6699999999999999 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' VAL . 24.2 mmt -34.96 -52.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.0499999999999998 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -51.5 -58.14 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.8499999999999996 110.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -28.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.6000000000000001 109.949 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -87.09 46.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.4900000000000002 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.11 50.28 22.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.8400000000000001 111.008 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -140.97 -176.61 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 3.4300000000000002 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -172.55 64.01 0.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.8899999999999999 109.297 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.01 175.93 10.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.803 . . . . 0.54000000000000004 110.999 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.625 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -108.49 141.78 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.57999999999999996 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -19.35 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 2.6400000000000001 110.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -55.46 18.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.52000000000000002 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.55 -37.29 86.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.6299999999999999 110.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.65 -25.63 63.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.56999999999999995 109.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 36.0 tt0 -56.82 -36.45 69.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.98 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.17 -34.15 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 2.1299999999999999 109.324 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -57.52 4.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 2.3199999999999998 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HG22 ' A' ' 29' ' ' THR . 2.4 pp -48.92 -43.55 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.44 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.472 ' N ' HD12 ' A' ' 52' ' ' ILE . 21.8 t-20 -66.6 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.29 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -70.55 -56.51 6.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.8799999999999999 110.298 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.77 HG11 ' HG3' ' A' ' 71' ' ' MET . 13.0 m -60.16 -46.02 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.53000000000000003 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.3 t70 -55.22 109.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.82999999999999996 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -97.5 -48.06 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.76000000000000001 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ALA . 1.6 p30 -40.33 -31.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 2.75 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.77 89.5 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 1.1200000000000001 111.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.53 -63.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 2.8799999999999999 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.45 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 1.3100000000000001 111.017 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.524 HG21 ' CG2' ' A' ' 26' ' ' THR . 25.2 m -150.13 166.9 28.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.66000000000000003 110.359 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HD12 ' A' ' 32' ' ' LEU . 2.0 mt -103.42 165.42 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.76000000000000001 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.6 t0 -152.03 166.94 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 2.4700000000000002 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -55.62 -50.86 84.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 2.3199999999999998 110.957 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -29.63 8.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.92000000000000004 110.977 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.93 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.0099999999999998 110.309 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.4 t80 -50.23 -39.85 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.6499999999999999 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.35 -55.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 3.1200000000000001 109.326 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -58.63 -52.13 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.78000000000000003 110.377 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.77 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.38 -61.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 2.71 111.038 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 3.1699999999999999 110.994 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.71 -57.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.92000000000000004 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -60.89 -40.38 92.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 4.6200000000000001 110.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -60.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 2.3999999999999999 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.614 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -49.91 -43.36 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 3.7200000000000002 111.003 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.86 52.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 3.9900000000000002 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -60.89 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 3.5699999999999998 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.0499999999999998 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 2.6899999999999999 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.9 t -58.61 -21.84 54.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 2.0600000000000001 110.371 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -61.81 -56.76 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 2.52 110.252 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.62 -29.78 65.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 2.6099999999999999 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 3.7 mm-40 -70.27 -60.58 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 2.98 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 69' ' ' LEU . 2.2 pp -51.34 -30.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.27 109.348 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -55.51 -59.87 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.55000000000000004 109.255 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.56 -45.07 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 2.9300000000000002 110.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -37.57 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 1.8 110.982 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -51.96 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 2.0600000000000001 109.303 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -32.49 70.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 3.7000000000000002 110.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -66.75 -42.54 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.71999999999999997 109.268 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 42.6 t80 -38.05 -39.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.8700000000000001 111.024 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -53.61 50.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.3200000000000001 109.997 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.3 -59.55 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.63 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.799 ' HA ' HG21 ' A' ' 35' ' ' VAL . 10.5 m-85 -44.23 -44.93 8.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.7200000000000002 110.994 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -99.96 46.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.45 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -41.2 -44.78 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.8100000000000001 109.304 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.97 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 2.3199999999999998 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.94 43.84 5.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.594 1.184 . . . . 0.79000000000000004 111.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 26.87 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 2.0299999999999998 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 27.13 13.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 1.1499999999999999 111.025 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -148.19 115.59 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.3500000000000001 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mp -83.24 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.91000000000000003 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.4 m -78.05 150.21 33.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.44 110.386 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 29' ' ' THR . 37.8 p -41.95 -30.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.60999999999999999 110.43 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' H ' HG22 ' A' ' 28' ' ' THR . 48.4 mttt -70.05 -44.49 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.4100000000000001 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.49 -34.43 64.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.96 110.35 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HD12 ' A' ' 48' ' ' LEU . 61.5 tp -71.16 -60.28 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 2.29 109.234 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.67 -32.0 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.59999999999999998 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 m -67.42 -57.55 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 0.64000000000000001 110.416 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.1 t -51.82 -49.8 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 1.4299999999999999 109.292 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mmt -37.83 -58.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 2.2200000000000002 110.977 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.6 mtp85 -56.87 -42.67 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 5.3700000000000001 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.5 t -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.5600000000000001 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 37' ' ' ARG . 80.9 mt -83.45 -48.3 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.6299999999999999 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 160.5 -43.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 1.74 110.957 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -45.73 172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 4.0700000000000003 110.282 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.511 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.6 m-80 -145.84 59.86 6.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 4.6399999999999997 109.318 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.93 172.3 16.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.66000000000000003 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.428 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -112.63 140.35 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.60999999999999999 110.429 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -19.64 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 3.3999999999999999 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.7 -58.91 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.46999999999999997 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.93 -38.62 73.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.8999999999999999 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 32' ' ' LEU . 4.1 mm? -70.3 -29.71 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.46000000000000002 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 52' ' ' ILE . 56.5 tt0 -51.85 -37.92 53.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.4099999999999999 110.296 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.7 -31.94 67.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.2400000000000002 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -70.67 -58.9 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 3.3599999999999999 110.952 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -47.13 -48.03 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.40999999999999998 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.739 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.3 t-20 -61.08 -35.27 76.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 1.3400000000000001 109.349 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -70.09 -60.33 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 2.1299999999999999 110.321 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.6 m -56.62 -47.63 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.53000000000000003 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 24.0 t70 -49.1 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.80000000000000004 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 -48.12 5.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.54000000000000004 109.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 36.7 p-10 -47.27 -30.13 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 2.46 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.45 111.94 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.77000000000000002 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.0 p30 173.13 -51.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 2.71 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 119.97 39.43 0.65 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 1.27 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 23.9 m -147.13 161.17 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.56999999999999995 110.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -99.89 178.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.71999999999999997 109.331 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.601 ' H ' HG22 ' A' ' 63' ' ' ILE . 19.3 t0 -167.21 172.15 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 2.6200000000000001 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -52.49 -52.92 59.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 2.1200000000000001 110.98 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -32.98 4.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.59999999999999998 110.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 51.5 mt-10 -66.0 -60.45 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.8700000000000001 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.605 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -52.33 -44.7 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.7 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD11 HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -43.13 -48.71 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 2.77 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -60.35 -48.63 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.84999999999999998 110.402 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.84 -60.42 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 2.8199999999999998 110.998 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -56.99 -59.86 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.6899999999999999 110.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -43.1 -54.79 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.68999999999999995 109.315 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 1.4 mmm180 -61.02 -35.85 77.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 6.3300000000000001 110.319 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.33 -60.02 4.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.4300000000000002 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 21.0 ptm -58.32 -28.9 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 3.5899999999999999 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.1 OUTLIER -60.93 -58.98 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.54 109.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.7999999999999998 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' MET . 11.7 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 2.8199999999999998 110.405 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.237 -0.653 . . . . 1.9399999999999999 109.237 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.567 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -58.3 -22.39 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.99 110.427 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.15 -60.82 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.6299999999999999 110.325 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.18 -31.6 69.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.8700000000000001 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 5.1 mm100 -68.84 -49.88 54.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 2.7799999999999998 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.9 mm -47.12 -44.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 1.127 . . . . 2.6099999999999999 109.264 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.23 80.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.88 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -70.36 -47.34 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.77 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 21.7 m-85 -59.96 -44.42 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 3.1699999999999999 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.36 -58.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 3.21 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.92 -32.14 73.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 3.4500000000000002 110.312 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -63.58 -59.04 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 1.5 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 17.6 t80 -37.44 -35.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 2.04 110.997 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.2 t -65.76 -52.1 53.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.25 110.032 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 65.9 mt -70.24 -49.57 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.68000000000000005 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.47 -44.63 92.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 4.5300000000000002 110.977 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.818 ' HB2' HD11 ' A' ' 27' ' ' ILE . 19.4 t0 -92.96 56.14 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.4199999999999999 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.89 ' NZ ' HG21 ' A' ' 34' ' ' THR . 3.3 pttt -57.07 -38.02 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 5.4900000000000002 109.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.57 -42.9 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.4900000000000002 109.273 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.82 43.07 36.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.83999999999999997 111.014 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.83 -20.44 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 2.02 109.305 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.85 2.21 27.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.84999999999999998 111.013 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 ' HB ' HG21 ' A' ' 62' ' ' THR . 0.9 OUTLIER -140.16 138.2 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 1.0600000000000001 110.396 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 20' ' ' ASP . 1.1 mp -95.53 97.6 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.70999999999999996 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.6 m -64.35 144.09 57.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.53000000000000003 110.423 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.466 ' HA ' HG21 ' A' ' 52' ' ' ILE . 51.0 p -37.22 -38.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.40000000000000002 110.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.514 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 pttt -63.79 -52.64 59.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 3.4900000000000002 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.899 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.4 mt-10 -45.95 -33.55 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.8 110.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 63' ' ' ILE . 2.7 tt -70.99 -59.91 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.6899999999999999 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.16 45.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.67000000000000004 110.961 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.89 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.6 m -63.6 -61.28 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 1.3 110.433 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 31' ' ' GLU . 90.6 t -43.78 -52.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.8400000000000001 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 43' ' ' PRO . 15.5 mmm -38.5 -54.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.1800000000000002 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -55.74 -43.22 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 3.73 110.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.71 -23.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.45 110.014 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.02 -35.73 17.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.6000000000000001 109.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 144.13 -50.09 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.8999999999999999 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -43.49 167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 4.3200000000000003 110.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 m120 -139.88 61.17 17.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 2.8399999999999999 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.76000000000000001 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -107.06 145.89 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.88 110.381 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.92 -20.05 65.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 2.3900000000000001 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -58.8 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.51000000000000001 109.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.1 -38.77 68.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 2.1800000000000002 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.33 -30.22 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.44 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -53.98 -36.87 63.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 1.49 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.91 -33.52 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 2.3500000000000001 109.309 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -57.66 4.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 2.73 111.041 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.568 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -49.77 -42.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.48999999999999999 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.568 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 t-20 -62.44 -35.04 78.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.6499999999999999 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -60.01 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 1.79 110.306 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.0 m -58.79 -34.86 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.62 109.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 22.7 t70 -65.69 109.38 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.97999999999999998 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -104.33 -46.27 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.71999999999999997 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.48 -30.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 2.8900000000000001 109.251 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 92.8 96.74 1.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.87 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -179.98 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 2.1800000000000002 109.33 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.14 46.59 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 1.25 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' HB ' ' A' ' 26' ' ' THR . 20.1 m -144.6 163.09 34.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.68999999999999995 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -99.96 179.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.89000000000000001 109.321 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 63' ' ' ILE . 34.5 t0 -172.73 -178.93 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 3.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.09 -50.8 85.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 2.9700000000000002 111.024 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.03 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.65000000000000002 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.93 -49.63 56.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.97 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 6.6 t80 -55.56 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 4.21 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -38.63 -51.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.4500000000000002 109.316 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.4 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 96.3 m -52.55 -48.9 65.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0700000000000001 110.397 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' PHE . 10.4 tpt -51.34 -60.37 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 2.98 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 3.0099999999999998 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.67000000000000004 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -60.56 -37.33 80.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.1499999999999999 110.274 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -47.51 -58.21 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.8900000000000001 109.314 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.508 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -55.14 -42.03 72.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 3.9199999999999999 110.982 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -57.75 11.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 3.4300000000000002 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -54.6 -61.12 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 3.02 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 75' ' ' LYS . 12.7 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.0099999999999998 110.411 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 2.6000000000000001 109.33 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 13.8 t -41.94 -29.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 2.3399999999999999 110.385 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.0 tt0 -53.78 -60.22 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 2.79 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 3.8 pt-20 -68.53 -36.15 78.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 2.2999999999999998 110.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.82 -60.16 4.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 3.71 110.28 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -43.21 -39.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 2.8599999999999999 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -50.8 -58.31 6.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.5 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.51 -45.73 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.9700000000000002 110.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -52.61 -30.34 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 1.8700000000000001 111.017 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.92 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 2.1499999999999999 109.311 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.29 -35.82 73.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.04 110.322 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.803 ' HB1' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.61 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.73999999999999999 109.305 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 61.7 t80 -36.8 -47.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 1.74 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -43.64 -51.55 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.4299999999999999 109.975 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 14.8 mt -70.66 -60.71 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.60999999999999999 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.803 ' CZ ' ' HB1' ' A' ' 15' ' ' ALA . 18.6 m-30 -38.01 -38.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 3.2400000000000002 110.956 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -102.78 103.34 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0900000000000001 109.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.812 ' CE ' HG23 ' A' ' 35' ' ' VAL . 22.7 mmtp -72.41 -61.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.48 109.321 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.09 -62.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 2.3700000000000001 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.4 39.08 3.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.75 110.991 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.99 -36.69 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 1.4199999999999999 109.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' ' 26' ' ' THR . . . 130.94 39.22 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 1.1299999999999999 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.3 p -161.73 120.98 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.95999999999999996 110.403 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.3 mp -81.86 79.59 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.89000000000000001 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.46 ' HA ' HG23 ' A' ' 62' ' ' THR . 99.0 m -44.81 141.74 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.81999999999999995 110.407 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.505 ' HA ' HG21 ' A' ' 52' ' ' ILE . 70.8 p -44.93 -51.04 10.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.57999999999999996 110.364 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -58.66 -36.58 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.1899999999999999 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.24 -28.23 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.1800000000000002 110.287 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 48' ' ' LEU . 12.1 tp -69.25 -44.9 71.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.4500000000000002 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.13 -26.57 72.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.73999999999999999 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.481 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 87.0 m -66.47 -59.26 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.90000000000000002 110.401 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' CE ' ' A' ' 21' ' ' LYS . 2.4 t -44.93 -55.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.1399999999999999 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.845 ' HA ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 2.46 110.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -50.08 -46.06 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 5.6600000000000001 110.331 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -34.15 8.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.8200000000000001 109.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 36' ' ' MET . 3.3 mt -69.92 -43.93 70.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 2.3100000000000001 109.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 48.18 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 2.2000000000000002 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -122.75 -38.59 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 0.794 . . . . 3.8999999999999999 110.249 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.519 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER 54.71 59.28 11.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.7 109.297 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 178.73 6.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.56000000000000005 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.4 p -105.98 145.62 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.70999999999999996 110.436 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.8 -19.5 65.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 2.8300000000000001 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -57.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.48999999999999999 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.58 -40.11 74.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 2.0499999999999998 110.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.49 -27.65 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.68999999999999995 109.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.71 -37.13 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.3600000000000001 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.77 -34.54 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 1.6899999999999999 109.25 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.85 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.5600000000000001 111.011 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.808 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.65 -48.19 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.35999999999999999 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.808 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -62.97 -33.81 76.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.02 109.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.96 -60.27 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 1.8600000000000001 110.249 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 16.7 m -56.87 -44.01 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.41999999999999998 109.253 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 18.9 t70 -51.2 109.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.76000000000000001 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -98.64 -57.34 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.56000000000000005 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -39.33 -35.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 2.1099999999999999 109.311 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 60' ' ' ASP . . . 95.12 96.25 1.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.79000000000000004 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -168.61 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 2.9100000000000001 109.314 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.09 35.44 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.22 111.02 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.3 m -140.42 166.93 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.56000000000000005 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 64' ' ' ASP . 4.7 mt -103.95 166.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.69999999999999996 109.298 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.523 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.5 m-20 -156.49 -175.43 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 3.25 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -65.67 -48.77 63.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.6600000000000001 111.024 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -32.44 5.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.69999999999999996 110.978 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 69.4 mt-10 -69.86 -61.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.8799999999999999 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 1.4 t80 -56.88 -34.1 67.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.54 111.036 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -50.73 -56.51 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.98 109.322 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 2.2 m -60.77 -49.36 77.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.84999999999999998 110.382 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 5.2 ttt -50.56 -59.92 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.2799999999999998 111.042 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 2.6499999999999999 110.971 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.15 -58.5 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 1.1399999999999999 109.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 3.21 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -44.34 -57.92 3.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.3100000000000001 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.551 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.3 OUTLIER -57.82 -39.8 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 4.1500000000000004 111.049 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -60.08 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 3.6699999999999999 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.18 -61.16 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 2.98 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 76' ' ' MET . 6.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.73 110.406 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.26 -0.644 . . . . 2.52 109.26 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.921 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 m -44.43 -25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.6899999999999999 110.381 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 4' ' ' LEU . 16.3 tt0 -60.16 -57.61 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 2.96 110.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.8 pt-20 -70.44 -28.45 65.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 2.71 110.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 4.1 tp-100 -69.67 -59.74 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.8799999999999999 110.278 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 5' ' ' THR . 1.2 pp -55.72 -19.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 3.3599999999999999 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.67000000000000004 109.305 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.06 -44.22 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.0499999999999998 110.276 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-85 -49.71 -30.16 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.73 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -60.01 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.1699999999999999 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.21 -32.94 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 4.6500000000000004 110.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.809 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -63.6 -43.77 95.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.68999999999999995 109.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -39.81 -44.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.77 111.017 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 t -51.02 -50.94 57.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 1.53 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.5 -59.85 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.81999999999999995 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.809 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.2 m-85 -42.07 -45.66 4.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 2.9399999999999999 110.959 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.6 100.69 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HE2' HG23 ' A' ' 35' ' ' VAL . 39.1 mmtt -78.73 -54.56 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.6499999999999999 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.79 -50.67 33.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 2.3599999999999999 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.61 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.081 . . . . 0.62 111.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -22.47 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.5 109.303 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.58 29.66 2.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.97999999999999998 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' GLY . 7.2 p -154.66 126.89 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 1.1899999999999999 110.402 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.484 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.8 mp -92.76 105.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.69999999999999996 109.264 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.5 m -80.38 152.96 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.66000000000000003 110.393 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.699 HG22 HG12 ' A' ' 52' ' ' ILE . 43.1 p -38.08 -36.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.63 110.404 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mttt -69.92 -52.67 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 4.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' THR . 49.3 mt-10 -48.98 -31.61 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 2.1499999999999999 110.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -71.08 -58.56 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.8100000000000001 109.312 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -20.56 60.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.59999999999999998 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.568 HG23 HH21 ' A' ' 37' ' ' ARG . 27.2 m -67.63 -43.69 79.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.80000000000000004 110.399 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 ' HA ' ' A' ' 19' ' ' PHE . 10.7 t -70.68 -49.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 1.3799999999999999 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.0 mmm -42.26 -62.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.9100000000000001 111.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.568 HH21 HG23 ' A' ' 34' ' ' THR . 8.2 ppt_? -60.65 -27.11 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 5.0099999999999998 110.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.66 -21.03 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.55 110.044 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -89.37 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 2.6400000000000001 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.59 -42.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 2.0299999999999998 111.023 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -48.65 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 4.46 110.291 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.3 m120 -153.89 61.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 2.2200000000000002 109.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.54000000000000004 111.007 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.03 138.59 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.67000000000000004 110.382 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.95 -20.2 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.0600000000000001 110.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -59.94 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.58999999999999997 109.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.17 -43.94 52.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.6000000000000001 110.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.8 mm? -70.53 -26.98 63.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.60999999999999999 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -52.25 -37.82 56.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.6599999999999999 110.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.63 -32.4 69.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.77 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.63 -58.69 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 2.29 111.022 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.802 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.92 -46.17 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.48999999999999999 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.802 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.7 t-20 -64.11 -34.11 77.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.5600000000000001 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -70.74 -60.04 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 2.29 110.338 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 56' ' ' ASP . 16.1 m -55.11 -50.16 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.63 109.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.7 t70 -52.58 106.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.2 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -86.1 -56.55 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.05 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.09 -34.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 2.1699999999999999 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 89.23 86.86 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.53 111.017 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -151.06 -54.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 2.77 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.3 41.72 0.53 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.158 . . . . 1.3300000000000001 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.0 m -147.28 155.11 41.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.56000000000000005 110.378 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -87.04 163.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.69999999999999996 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.564 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.0 t0 -151.64 154.19 35.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 2.8599999999999999 109.322 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -49.01 -47.3 75.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 2.4300000000000002 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -30.5 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.69999999999999996 111.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -72.33 -60.09 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.6299999999999999 110.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.9 -53.69 24.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.6100000000000001 111.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -51.26 -45.62 62.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.8500000000000001 109.286 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.419 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.6 m -64.18 -43.58 94.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0600000000000001 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.477 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 8.8 tpt -53.95 -60.42 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 3.4199999999999999 111.048 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 4.0499999999999998 111.044 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -47.19 -55.27 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.02 109.331 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.98 -32.1 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 5.1900000000000004 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -58.97 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 3.0699999999999998 109.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.655 ' HA ' HG22 ' A' ' 79' ' ' THR . 6.3 ptm -59.71 -22.25 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 3.7999999999999998 111.043 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 76' ' ' MET . 2.9 ttmt -61.5 -59.99 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 3.8999999999999999 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.48 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.6499999999999999 109.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 76' ' ' MET . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 2.8199999999999998 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.801 HD12 ' HB3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.294 -0.632 . . . . 2.48 109.294 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.1 m -32.99 -52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.27 110.393 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -50.01 73.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 3.6099999999999999 110.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 mt-10 -61.15 -60.55 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 3.6200000000000001 110.255 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.801 ' HB3' HD12 ' A' ' 4' ' ' LEU . 3.8 pt20 -50.31 -49.09 54.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 6.2300000000000004 110.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 69' ' ' LEU . 14.9 mm -59.27 -32.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 2.71 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.01 -51.37 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.70999999999999996 109.267 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -47.54 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 4.1900000000000004 110.323 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.96 -43.7 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 2.6699999999999999 110.962 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -58.75 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.83 -40.16 76.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.6400000000000001 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -53.13 -53.3 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.81999999999999995 109.314 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.4 t80 -33.03 -50.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.8200000000000001 111.01 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -46.1 -60.37 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.55 109.98 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.88 -55.87 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.79000000000000004 109.324 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.798 ' CE1' ' CE2' ' A' ' 68' ' ' PHE . 16.2 t80 -39.84 -44.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 5.3399999999999999 111.018 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.84 100.97 13.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 1.03 109.263 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 34' ' ' THR . 49.8 mmtt -66.34 -65.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.7 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.64 -60.03 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.5800000000000001 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.68 46.48 2.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.77000000000000002 110.983 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -109.1 -10.51 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 1.3500000000000001 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 26' ' ' THR . . . 106.98 22.39 7.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.91000000000000003 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 25' ' ' GLY . 2.4 p -154.81 134.99 13.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.1399999999999999 110.392 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.8 mp -99.22 96.53 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.65000000000000002 109.362 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.3 m -58.69 156.66 10.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.55000000000000004 110.388 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.523 ' HA ' HG21 ' A' ' 52' ' ' ILE . 37.0 p -51.92 -51.37 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.67000000000000004 110.364 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -64.58 -31.15 72.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 2.3999999999999999 109.301 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.73 -27.86 68.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 1.74 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 1.5 tt -67.21 -53.57 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.8100000000000001 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -50.93 -31.81 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.52000000000000002 111.06 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 21' ' ' LYS . 86.9 m -59.74 -56.89 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.60999999999999999 110.356 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.0 t -52.22 -55.62 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 1.4099999999999999 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -38.0 -43.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.97 111.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 9.1 mtm180 -60.73 -51.02 71.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 3.5 110.235 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.85 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.8100000000000001 109.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -79.46 -49.09 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.6599999999999999 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 139.9 44.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 1.8700000000000001 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.22 175.83 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 3.0499999999999998 110.308 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -157.47 63.22 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.76 109.306 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.79000000000000004 111.003 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.65 36.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -20.0 52.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 2.4399999999999999 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.95 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.78000000000000003 109.313 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.82 -42.31 65.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 2.04 110.318 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 51' ' ' MET . 4.6 mm? -70.72 -26.75 63.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.76000000000000001 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -51.89 -38.36 55.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 2.1000000000000001 110.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -71.84 -32.28 67.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 2.23 109.32 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -70.36 -59.35 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 2.8100000000000001 110.991 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.691 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -46.95 -48.18 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.34000000000000002 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.691 ' N ' HD12 ' A' ' 52' ' ' ILE . 34.4 t-20 -60.72 -35.58 76.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 2.1299999999999999 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.14 -58.31 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 2.3599999999999999 110.301 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 71' ' ' MET . 3.4 m -59.73 -26.42 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.80000000000000004 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 9.5 t70 -78.07 109.24 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.96999999999999997 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -90.91 -55.65 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.62 109.292 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -35.8 -35.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.2200000000000002 109.256 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 89.39 85.46 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 1.24 110.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -54.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 2.77 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.36 40.73 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 1.27 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.426 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.1 m -145.03 162.39 37.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.56999999999999995 110.459 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 10.5 mt -100.02 171.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.68000000000000005 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.4 t0 -168.19 177.95 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 2.7599999999999998 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.512 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -57.6 -50.81 86.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 2.5099999999999998 111.008 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -31.31 6.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.82999999999999996 111.057 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 56.7 mt-10 -70.6 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.1099999999999999 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.798 ' CE2' ' CE1' ' A' ' 19' ' ' PHE . 1.1 t80 -56.54 -41.99 77.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.54 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.76 HD22 ' OE1' ' A' ' 8' ' ' GLN . 2.2 mt -39.12 -51.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 2.7599999999999998 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -66.98 -40.07 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 1.04 110.378 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 55' ' ' VAL . 11.3 ttt -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 2.9500000000000002 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 11.8 mtp -60.38 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.1200000000000001 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.62 -57.89 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.1899999999999999 109.249 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -60.09 -23.91 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 3.3300000000000001 110.336 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -57.55 -57.75 11.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 4.1699999999999999 109.304 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.726 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -60.92 -22.39 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 3.1600000000000001 111.036 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.2 OUTLIER -60.81 -60.14 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 3.1299999999999999 109.304 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -53.64 -60.52 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 3.52 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 2.8999999999999999 110.426 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.304 -0.628 . . . . 2.8700000000000001 109.304 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.8 m -36.98 -35.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.73 110.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 7' ' ' GLU . 18.8 pt-20 -62.16 -55.57 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 4.1600000000000001 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 pt-20 -71.15 -37.61 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.5899999999999999 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -64.01 -54.04 40.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 3.4700000000000002 110.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.79 -35.86 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 3.1000000000000001 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.78 -55.55 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.5 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.03 -46.6 61.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.52 110.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.51 -38.5 44.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.8200000000000001 111.031 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -49.68 -60.69 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 2.71 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.42 72.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 4.0999999999999996 110.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -54.47 -50.58 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.63 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 27.8 t80 -37.46 -53.68 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.1099999999999999 110.971 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PHE . 41.5 t -38.93 -48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.3500000000000001 110.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 34.1 mt -70.39 -60.6 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.59999999999999998 109.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 19.9 m-85 -43.32 -55.93 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.8199999999999998 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 22.0 t0 -71.89 98.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.89000000000000001 109.263 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -75.8 -54.07 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.6899999999999999 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -54.92 -58.56 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 3.1400000000000001 109.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.17 36.05 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.65000000000000002 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 49.3 p-10 -104.92 -12.86 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 1.5800000000000001 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.84 8.5 26.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 0.96999999999999997 110.99 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.549 ' C ' HD12 ' A' ' 27' ' ' ILE . 1.4 p -135.87 146.9 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 1.1100000000000001 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.1 mp -106.58 88.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.59999999999999998 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' HG23 ' A' ' 62' ' ' THR . 23.6 m -52.98 150.14 5.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.51000000000000001 110.398 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.518 ' HA ' HG21 ' A' ' 52' ' ' ILE . 71.8 p -40.16 -46.39 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.42999999999999999 110.422 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.45 -42.11 88.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 2.1699999999999999 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 52.2 mt-10 -55.68 -31.77 62.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 2.1299999999999999 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.967 HD12 HD11 ' A' ' 63' ' ' ILE . 2.6 tt -66.21 -47.91 72.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.6000000000000001 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.97 -19.18 73.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.58999999999999997 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.645 HG21 ' HG3' ' A' ' 21' ' ' LYS . 63.6 m -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.83999999999999997 110.427 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 36' ' ' MET . 1.8 p -72.27 -50.11 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.0800000000000001 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.501 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 30.7 mmt -42.57 -58.84 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 2.3100000000000001 110.98 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 34' ' ' THR . 6.6 ppt_? -63.46 -33.75 76.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.5499999999999998 110.269 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -54.09 -24.93 19.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.72 110.064 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -79.11 -60.25 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 2.1000000000000001 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.56 58.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 1.97 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -129.69 -41.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 3.4100000000000001 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.604 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 61.29 54.97 3.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.8899999999999999 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -176.96 3.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.76000000000000001 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.757 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -112.42 140.77 46.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.82999999999999996 110.358 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.51 -19.66 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.3799999999999999 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 -58.97 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.46000000000000002 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.48 -37.27 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.54 110.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.61 -27.67 64.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.48999999999999999 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.3 tt0 -61.06 -34.56 75.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 1.8400000000000001 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.59 -34.17 67.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 2.1299999999999999 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -54.57 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.6299999999999999 110.99 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.815 HD13 ' O ' ' A' ' 61' ' ' GLY . 2.9 pp -51.53 -32.01 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.48999999999999999 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 t-20 -64.02 -33.8 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 1.4399999999999999 109.345 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -60.53 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 2.0899999999999999 110.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.0 m -51.84 -41.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.47999999999999998 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 25.2 t70 -46.44 105.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.95999999999999996 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.17 -57.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.97999999999999998 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -49.78 -32.31 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.1299999999999999 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . 101.49 118.38 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 1.0900000000000001 111.032 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 2.9 p-10 163.37 -58.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 2.7400000000000002 109.321 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.815 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 135.23 -24.23 3.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 2.02 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 28' ' ' THR . 72.2 m -78.33 170.22 16.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.72999999999999998 110.347 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.967 HD11 HD12 ' A' ' 32' ' ' LEU . 8.9 mt -103.43 171.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.67000000000000004 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 63' ' ' ILE . 2.6 t70 -152.81 157.98 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 2.4300000000000002 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -49.18 -51.41 57.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 2.3399999999999999 110.996 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.639 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -29.49 8.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.78000000000000003 110.994 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.93 -55.23 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 2.0600000000000001 110.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.8 t80 -56.55 -42.71 78.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.5900000000000001 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -40.75 -40.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 2.1400000000000001 109.334 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.5 m -70.56 -43.77 68.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.63 110.399 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 tpt -46.38 -60.62 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 2.3700000000000001 110.994 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -59.76 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.6800000000000002 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.47 -57.0 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.64000000000000001 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -61.02 -38.06 84.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 4.04 110.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.88 -55.93 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 2.7400000000000002 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.23 -41.86 85.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 3.7999999999999998 111.033 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -59.95 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 2.4399999999999999 109.341 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -59.99 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 3.3399999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 2.3700000000000001 110.414 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.275 -0.639 . . . . 2.46 109.275 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -38.29 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 2.98 110.406 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LEU . 7.2 tt0 -49.13 -61.12 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.9199999999999999 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.06 -33.78 70.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 2.5 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 12' ' ' PHE . 2.2 tp-100 -60.58 -60.47 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 3.0099999999999998 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.87 -19.78 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 2.9300000000000002 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.28 -60.55 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.60999999999999999 109.275 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.32 -44.43 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 2.8300000000000001 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-30 -49.98 -31.94 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.6899999999999999 110.997 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -52.71 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 2.3700000000000001 109.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -30.21 66.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 4.2999999999999998 110.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -65.6 -42.4 91.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.1299999999999999 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CD2' ' CE2' ' A' ' 65' ' ' PHE . 17.2 t80 -50.92 -38.61 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.73 110.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 2.27 110.011 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 6.8 mt -62.56 -61.11 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.97999999999999998 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.988 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.04 -30.91 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.3200000000000003 111.014 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 21.5 t0 -105.42 53.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.48 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -47.46 -45.47 25.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 2.0299999999999998 109.279 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -39.83 -55.75 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 2.0800000000000001 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.37 9.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.72999999999999998 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -28.51 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 1.6799999999999999 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.25 26.91 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.05 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.2 p -154.67 119.13 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.98999999999999999 110.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 20' ' ' ASP . 2.2 mp -82.63 95.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.60999999999999999 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.903 ' HA ' HG23 ' A' ' 62' ' ' THR . 44.9 m -64.7 146.19 55.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.54000000000000004 110.35 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.0 p -41.96 -39.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.65000000000000002 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -44.5 96.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.6499999999999999 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 46.4 mt-10 -65.23 -29.68 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.97 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 2.75 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -71.77 -20.48 78.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.63 110.967 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 53.9 m -70.14 -60.9 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.64000000000000001 110.452 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.988 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.0 p -50.15 -37.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 1.78 109.325 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 14.9 mmt -48.68 -54.76 13.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.8100000000000001 110.952 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 38' ' ' SER . 4.3 ppt_? -54.54 -28.75 47.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 8.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -70.92 -26.85 63.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.4299999999999999 109.962 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.19 -49.28 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.79 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.07 51.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 2.48 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.439 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -166.12 135.59 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 4.3099999999999996 110.305 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.98 68.29 75.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 2.8199999999999998 109.3 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 -172.06 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 0.94999999999999996 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -106.54 141.09 38.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.02 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -19.53 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 3.9399999999999999 110.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . -70.02 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.68999999999999995 109.356 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.43 -41.75 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 2.6400000000000001 110.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 32' ' ' LEU . 4.3 mm? -70.45 -28.71 65.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.75 109.285 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 52' ' ' ILE . 35.9 tt0 -46.6 -40.32 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 2.0800000000000001 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -72.39 -32.29 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 2.02 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.5 mmm -70.87 -55.47 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 3.5499999999999998 111.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -52.44 -33.97 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.68999999999999995 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.448 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.7 t-20 -67.83 -29.7 68.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 2.2999999999999998 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.26 -59.31 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.3399999999999999 110.281 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' SD ' ' A' ' 71' ' ' MET . 2.2 m -57.06 -39.89 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.88 109.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.418 ' OD1' ' CG ' ' A' ' 60' ' ' ASP . 16.5 t70 -50.42 107.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 1.1100000000000001 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -105.02 -61.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.2 109.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD2' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -40.86 -29.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 2.7000000000000002 109.308 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 102.54 110.01 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.1799999999999999 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' OD1' ' A' ' 56' ' ' ASP . 0.2 OUTLIER 167.6 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 2.8599999999999999 109.322 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.52 -42.55 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 2.54 111.012 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 28' ' ' THR . 46.7 m -61.31 154.19 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.90000000000000002 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 4.1 mt -90.2 160.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.96999999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -143.37 -171.72 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 3.71 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.41 -48.58 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.1099999999999999 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.654 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.01 -33.7 4.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.75 111.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 57' ' ' ALA . 67.9 mt-10 -70.42 -39.57 74.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.5700000000000001 110.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 1.4 t80 -70.64 -41.97 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 4.5700000000000003 110.984 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -64.01 -45.26 89.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 2.2400000000000002 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -63.15 -36.46 83.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.4099999999999999 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.854 ' SD ' HG12 ' A' ' 55' ' ' VAL . 7.8 tpt -56.88 -60.22 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 3.71 110.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -55.78 -57.07 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 3.4199999999999999 110.989 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 76' ' ' MET . . . -49.75 -50.57 43.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.3400000000000001 109.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.0 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 4.3899999999999997 110.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -62.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 3.71 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.513 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -61.87 -21.4 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 5.0999999999999996 111.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.0 ttmt -62.73 -60.03 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 3.7000000000000002 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -61.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.2599999999999998 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 76' ' ' MET . 14.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 4.2300000000000004 110.374 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 3.2200000000000002 109.281 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.2 t -59.13 -19.72 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.99 110.356 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.39 -60.99 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 3.0499999999999998 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -71.01 -28.04 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.9399999999999999 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -70.81 -60.65 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 4.54 110.287 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.07 HG22 HD11 ' A' ' 69' ' ' LEU . 1.8 pp -52.64 -21.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 3.0299999999999998 109.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.4 -61.22 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.85999999999999999 109.259 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -72.17 -43.79 64.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.2200000000000002 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 m-85 -49.46 -36.35 22.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 2.73 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -61.1 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.99 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -34.65 69.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.98 110.311 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.653 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -55.92 -60.31 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.24 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 6.9500000000000002 111.019 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -42.19 -41.48 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 3.1400000000000001 110.027 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.5 mt -70.45 -46.32 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.01 109.319 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD2' HG11 ' A' ' 35' ' ' VAL . 73.7 m-85 -59.46 -37.94 79.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 2.9900000000000002 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.14 100.68 9.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.48 109.338 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -77.48 -58.49 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.5700000000000001 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -44.32 -48.26 9.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 2.2000000000000002 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.39 31.28 19.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.137 . . . . 1.29 111.024 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -102.88 -33.98 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 2.0600000000000001 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.02 -19.43 3.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 1.8 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.562 ' C ' HD12 ' A' ' 27' ' ' ILE . 86.9 m -103.11 145.28 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 2.0899999999999999 110.389 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -109.06 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.67000000000000004 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 30' ' ' LYS . 3.4 m -61.08 149.12 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.60999999999999999 110.437 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.682 ' HA ' HG21 ' A' ' 52' ' ' ILE . 57.9 p -37.2 -36.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.40000000000000002 110.37 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mtpt -68.64 -52.42 31.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 3.6899999999999999 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' THR . 35.2 mt-10 -47.05 -31.55 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.9399999999999999 110.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 2.9 tt -70.99 -52.37 20.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.5800000000000001 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -71.38 -18.74 77.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.108 . . . . 0.79000000000000004 110.989 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 21' ' ' LYS . 87.8 m -68.36 -49.72 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.90000000000000002 110.386 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.608 HG11 ' CD2' ' A' ' 19' ' ' PHE . 8.5 p -71.75 -52.14 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.516 ' N ' HG13 ' A' ' 35' ' ' VAL . 41.2 mmm -41.15 -60.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 2.3700000000000001 111.04 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 6.3 ppt_? -60.21 -33.68 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 4.0700000000000003 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 3.6 t -60.56 -23.15 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.1200000000000001 110.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -89.94 41.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.9399999999999999 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.63 -51.56 4.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 2.54 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 74.0 mm-40 -50.25 -178.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 3.7799999999999998 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.481 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t-20 -165.82 60.84 0.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 2.0299999999999998 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.56000000000000005 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -105.66 142.54 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.83999999999999997 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -19.75 38.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.6200000000000001 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.26 -60.28 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.46000000000000002 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.67 -41.3 70.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 2.1899999999999999 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -70.89 -23.98 62.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.45000000000000001 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.5 tt0 -55.49 -36.27 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.3899999999999999 110.247 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.95 -32.03 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.8999999999999999 109.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -59.4 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 2.5299999999999998 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -48.42 -46.69 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.37 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.3 m-20 -58.51 -35.02 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 2.1000000000000001 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.01 -60.0 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.6799999999999999 110.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.9 m -58.66 -28.21 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.56000000000000005 109.252 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 31.9 t70 -64.93 108.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.96999999999999997 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -102.56 -52.72 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.55000000000000004 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -40.49 -30.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 2.0299999999999998 109.345 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.31 95.47 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.992 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.11 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 2.54 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 44.08 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 1.25 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 26' ' ' THR . 22.3 m -142.96 168.74 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.73999999999999999 110.425 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 5.0 mt -107.46 170.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.361 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 63' ' ' ILE . 15.4 t0 -160.63 167.65 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 2.4399999999999999 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.02 -52.11 68.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.99 110.989 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -28.5 9.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.64000000000000001 111.017 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -70.25 -55.54 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.52 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.6399999999999999 111.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.07 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -39.85 -46.98 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.7999999999999998 109.282 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.1 m -64.52 -45.34 87.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.65000000000000002 110.41 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.502 ' SD ' HG12 ' A' ' 55' ' ' VAL . 11.0 tpt -53.45 -60.49 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 2.7000000000000002 111.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -59.23 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.96 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.75 -54.95 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.70999999999999996 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -61.43 -32.17 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 3.2799999999999998 110.262 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -60.11 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.1499999999999999 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 1.9 ptt? -60.23 -20.1 57.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 4.7800000000000002 110.954 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.85 -57.59 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 2.8100000000000001 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.19 -57.31 10.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.1400000000000001 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 3.48 110.376 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 8' ' ' GLN . 1.2 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 2.8900000000000001 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -48.9 -32.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.77 110.377 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.3 -43.57 85.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 2.4900000000000002 110.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -44.28 71.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.9900000000000002 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 4' ' ' LEU . 37.7 mm-40 -66.93 -57.45 6.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 3.4500000000000002 110.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 5' ' ' THR . 7.3 mm -41.54 -45.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 2.98 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -53.5 28.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.45000000000000001 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.42 -46.55 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 2.5299999999999998 110.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -22.97 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.8999999999999999 110.986 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.25 -60.13 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.2799999999999998 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.02 -33.37 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 3.2400000000000002 110.338 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.56 93.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.75 109.268 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 41.9 t80 -38.62 -44.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.72 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -51.17 -60.06 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 1.46 109.983 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.6 mt -52.19 -52.63 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.89000000000000001 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.654 ' CD1' HG21 ' A' ' 35' ' ' VAL . 37.5 m-85 -57.0 -29.54 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.98 111.0 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 2.3 t0 -75.96 91.32 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 2.3100000000000001 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.679 ' HE2' HG23 ' A' ' 35' ' ' VAL . 51.8 mmtt -91.12 19.34 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 2.7200000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -146.66 -51.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 2.3399999999999999 109.309 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 41.48 6.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 0.69999999999999996 111.028 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -22.22 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 1.6799999999999999 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.4 8.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.84999999999999998 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -144.93 130.57 18.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 1.1100000000000001 110.333 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' OE2' ' A' ' 31' ' ' GLU . 18.1 mm -87.91 83.86 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.2 m -47.39 149.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.64000000000000001 110.428 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.65 ' HA ' HG21 ' A' ' 52' ' ' ILE . 48.5 p -50.96 -56.09 14.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.85999999999999999 110.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -26.09 68.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 2.2999999999999998 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 19.5 tt0 -70.31 -33.69 71.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 2.7799999999999998 110.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD13 HD12 ' A' ' 63' ' ' ILE . 1.6 tp -67.8 -38.3 83.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 2.2799999999999998 109.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -25.84 72.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.53000000000000003 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 21' ' ' LYS . 83.6 m -61.28 -55.22 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.56000000000000005 110.38 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.679 HG23 ' HE2' ' A' ' 21' ' ' LYS . 2.2 t -50.77 -53.52 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 1.1399999999999999 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.87 -42.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.96 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -50.1 -50.17 49.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 3.8500000000000001 110.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -22.51 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.8999999999999999 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -91.89 27.36 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 2.9300000000000002 109.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.33 60.95 1.88 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.149 . . . . 1.76 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.4 -43.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 3.52 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 48.67 60.79 15.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 109.318 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.95 -174.57 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.79000000000000004 110.985 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -112.17 138.57 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.64000000000000001 110.451 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.28 -19.4 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.3900000000000001 110.299 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.39 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.62 109.332 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.75 -39.13 84.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 2.1200000000000001 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.659 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.43 -22.93 62.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.59999999999999998 109.255 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.71 -37.77 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 2.0299999999999998 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -71.42 -33.38 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.99 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.6 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 3.5899999999999999 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.906 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -47.68 -48.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.46000000000000002 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.906 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.4 t30 -66.34 -31.07 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.9399999999999999 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -59.48 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.96 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 14.8 m -59.81 -40.73 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.46000000000000002 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 24.6 t70 -57.43 109.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.76000000000000001 109.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -99.67 -52.33 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.68000000000000005 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -42.97 -29.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 2.1899999999999999 109.333 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 89.73 114.86 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.095 . . . . 0.76000000000000001 111.032 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 1.9 p30 172.03 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 2.7599999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 116.29 46.62 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 1.3100000000000001 111.026 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 32.2 m -152.92 158.09 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.60999999999999999 110.372 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.824 HD12 HD13 ' A' ' 32' ' ' LEU . 11.8 mt -97.22 169.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.59999999999999998 109.291 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.6 t0 -156.9 175.44 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 2.6299999999999999 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -57.86 -52.29 75.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 2.0600000000000001 111.016 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.97 -31.99 5.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.57999999999999996 111.042 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -56.44 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.53 110.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.36 -41.23 88.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 1.6000000000000001 110.972 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -51.96 25.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.79 109.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -50.49 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.65000000000000002 110.392 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.474 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 tmt? -47.64 -60.45 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 2.3199999999999998 111.017 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -59.75 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 2.7200000000000002 110.999 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.09 -54.57 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.91000000000000003 109.276 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -41.32 96.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 4.5899999999999999 110.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -42.15 -59.84 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 2.71 109.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.1 65.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.8700000000000001 111.003 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -54.88 -57.6 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 3.02 109.319 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.34 -60.38 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.6000000000000001 109.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 75' ' ' LYS . 43.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 3.1499999999999999 110.427 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 8' ' ' GLN . 2.8 pp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.638 . . . . 2.3300000000000001 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.7 m -71.5 -38.02 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.8400000000000001 110.397 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.19 -60.17 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 2.8700000000000001 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 pt-20 -64.63 -32.85 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.6099999999999999 110.319 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.8 ' HB2' HD12 ' A' ' 4' ' ' LEU . 3.2 tp-100 -66.51 -57.71 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 2.9100000000000001 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.43 -34.92 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 2.5099999999999998 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -47.83 -58.59 4.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.59999999999999998 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.38 -47.04 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.3100000000000001 110.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.35 -45.96 55.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 2.0699999999999998 111.022 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.17 -60.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 2.6400000000000001 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -71.21 -51.12 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.9500000000000002 110.332 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -42.89 -46.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.80000000000000004 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 62.1 t80 -35.29 -53.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.8100000000000001 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' PHE . 3.2 t -38.16 -48.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.6699999999999999 110.04 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.523 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 96.1 mt -70.7 -60.5 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.57999999999999996 109.307 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' HA ' HG21 ' A' ' 35' ' ' VAL . 11.7 m-85 -41.94 -45.24 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 3.0600000000000001 110.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -85.2 96.41 9.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 1.21 109.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 35' ' ' VAL . 69.8 mmtt -75.89 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.9299999999999999 109.331 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.7 p-10 -55.25 -44.7 75.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 4.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 82.73 36.31 16.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.75 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.69 -17.96 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 2.3100000000000001 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.08 -4.08 14.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.95999999999999996 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 p -133.84 143.75 48.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 1.3200000000000001 110.414 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.5 mp -91.74 87.06 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.76000000000000001 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 1.8 m -52.14 149.74 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.46000000000000002 110.444 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 61.2 p -44.64 -51.69 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.48999999999999999 110.408 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.56 -35.77 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 2.23 109.235 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 28' ' ' THR . 62.2 mt-10 -65.78 -29.91 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.9399999999999999 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.91 HD12 HD11 ' A' ' 63' ' ' ILE . 6.0 tt -63.0 -47.43 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.8200000000000001 109.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.31 -22.59 67.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.68000000000000005 111.042 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 24.3 m -61.76 -46.03 91.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.93000000000000005 110.369 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 19' ' ' PHE . 23.1 t -70.9 -54.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.3300000000000001 109.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.1 mmt -39.67 -60.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.76 111.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 38' ' ' SER . 1.3 ppt_? -61.84 -35.02 77.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 4.7800000000000002 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 2.4 t -46.74 -25.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.3500000000000001 110.026 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.02 -60.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.04 109.361 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.47 59.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 1.8300000000000001 111.073 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -130.28 -49.17 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 3.79 110.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 63.82 58.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.8200000000000001 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 -177.66 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.57999999999999996 110.986 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.611 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.5 137.83 41.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.402 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.72 -22.01 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.3999999999999999 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.34 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.40999999999999998 109.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.84 -42.83 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.48 110.294 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.35 -24.31 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.64000000000000001 109.323 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 34.1 tt0 -57.22 -36.3 70.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 2.2400000000000002 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -71.81 -32.79 67.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 2.02 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.0 mmm -70.29 -56.01 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 2.5 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -50.64 -37.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.34000000000000002 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -66.23 -32.95 74.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 2.1800000000000002 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.97 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 52' ' ' ILE . 6.3 m -55.77 -44.98 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.46000000000000002 109.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 33.1 t70 -55.54 108.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.81000000000000005 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.66 -44.43 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.77000000000000002 109.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.3 p30 -46.76 -28.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 2.04 109.348 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' OD1' ' A' ' 60' ' ' ASP . . . 93.66 108.77 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.75 110.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 170.24 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 2.27 109.314 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.62 41.02 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 1.21 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.7 m -139.09 165.23 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.62 110.412 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.91 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -98.7 164.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.68000000000000005 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.5 t0 -151.41 158.79 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 2.3900000000000001 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -51.17 -50.14 77.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.2200000000000002 111.013 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -28.14 9.36 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.66000000000000003 110.998 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.97 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 1.5900000000000001 110.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 1.52 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -49.77 -44.26 48.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 1.79 109.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -66.96 -42.67 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.76000000000000001 110.383 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.62 -60.35 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 2.3100000000000001 111.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -60.24 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 2.9100000000000001 110.975 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -42.94 -57.68 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.67000000000000004 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -61.07 -35.11 76.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.1399999999999997 110.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.45 -59.16 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 2.48 109.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.626 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 ptm -60.0 -31.62 70.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 3.3900000000000001 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' MET . 8.4 tttm -60.8 -59.94 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 2.6099999999999999 109.319 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.6 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 3.4199999999999999 109.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 76' ' ' MET . 8.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.0299999999999998 110.441 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 2.1499999999999999 109.314 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.3 m -56.85 -24.04 48.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.76 110.365 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 tt0 -66.19 -57.93 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 2.5600000000000001 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.26 -27.16 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.1000000000000001 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.73 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 5' ' ' THR . 2.3 pp -51.41 -33.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 3.3700000000000001 109.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.85 -59.82 3.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.55000000000000004 109.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.81 -46.16 63.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 2.3999999999999999 110.276 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.86 -36.58 38.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.8 110.96 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -53.41 -59.3 4.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.1400000000000001 109.288 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.32 -36.91 77.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 3.3900000000000001 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.44 -46.63 88.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.65000000000000002 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.4 t80 -36.71 -46.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 1.7 110.989 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -46.48 -46.88 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.9299999999999999 110.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 79.4 mt -69.19 -60.84 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.67000000000000004 109.322 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.744 ' HD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -43.59 -43.83 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.8300000000000001 110.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.49 97.88 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.02 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 66.6 mmtt -77.33 -54.74 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.8200000000000001 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.6 p30 -56.65 -46.1 81.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 3.9100000000000001 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 80.4 40.05 13.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.81000000000000005 110.948 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -106.85 -14.79 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 1.3799999999999999 109.34 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 2.88 21.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.84999999999999998 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 62' ' ' THR . 1.9 p -133.54 136.94 45.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 1.1499999999999999 110.412 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.9 mp -94.38 84.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.58999999999999997 109.268 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.425 ' HA ' HG23 ' A' ' 62' ' ' THR . 53.0 m -51.21 152.26 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.62 110.434 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' HG21 ' A' ' 52' ' ' ILE . 44.2 p -50.36 -49.82 53.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.45000000000000001 110.366 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.48 71.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 2.4900000000000002 109.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 53.2 mt-10 -70.4 -31.61 68.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 2.1600000000000001 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 48' ' ' LEU . 19.1 tp -61.35 -47.86 83.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 2.4100000000000001 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -72.48 -18.96 78.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.45000000000000001 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.47 HG23 HH21 ' A' ' 37' ' ' ARG . 54.6 m -69.59 -49.36 54.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.57999999999999996 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.744 HG21 ' HD1' ' A' ' 19' ' ' PHE . 7.2 p -68.12 -44.7 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.9199999999999999 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 7.0 mmt -53.22 -60.45 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 2.0299999999999998 110.981 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 HH21 HG23 ' A' ' 34' ' ' THR . 7.8 ppt_? -62.19 -31.16 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.5 110.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -56.92 -32.3 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.5099999999999998 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.03 -35.03 79.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.9399999999999999 109.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.74 -26.72 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 1.74 110.995 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 2.3 mm-40 -69.09 -173.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 2.8799999999999999 110.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -168.18 58.06 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.71 109.258 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -75.04 -178.54 4.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.56000000000000005 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -103.17 148.86 25.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.57999999999999996 110.385 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -67.33 -19.91 65.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 3.3700000000000001 110.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.26 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.38 109.309 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.91 -43.86 66.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.74 110.294 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD12 HD21 ' A' ' 32' ' ' LEU . 4.0 mm? -71.18 -20.19 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.56000000000000005 109.308 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 52' ' ' ILE . 40.3 tt0 -58.82 -36.45 74.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.3400000000000001 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.28 -28.55 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.9099999999999999 109.272 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.02 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 2.3799999999999999 111.022 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.749 HG22 HD11 ' A' ' 63' ' ' ILE . 2.5 pp -48.92 -43.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.65000000000000002 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -66.97 -32.16 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.53 109.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -58.92 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 2.0099999999999998 110.316 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.7 m -58.02 -45.71 88.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.54000000000000004 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 29.3 t70 -47.36 100.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.71999999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.57 -57.67 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.78000000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.83 -32.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 2.5299999999999998 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 105.3 116.05 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 1.72 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 163.03 -75.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 3.4199999999999999 109.292 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 60' ' ' ASP . . . 151.12 -43.53 0.7 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 2.3100000000000001 111.062 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.809 HG21 ' HB ' ' A' ' 26' ' ' THR . 8.4 m -58.83 172.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 1.1200000000000001 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.749 HD11 HG22 ' A' ' 52' ' ' ILE . 3.2 mt -114.85 109.38 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.8300000000000001 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.598 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 11.8 m-20 -83.39 -172.11 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 3.04 109.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.3 t80 -72.52 -45.52 9.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 3.3100000000000001 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.4 Cg_endo -74.93 -24.43 12.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.84999999999999998 111.038 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.0 -54.81 9.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 1.8300000000000001 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.461 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -61.91 -41.86 98.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.5600000000000001 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -52.29 9.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 2.8199999999999998 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -63.17 -50.87 68.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.82999999999999996 110.33 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -43.28 -60.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 2.3300000000000001 110.992 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -56.42 -59.32 5.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.5800000000000001 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.7 -57.91 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.79000000000000004 109.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -60.72 -41.01 94.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.9500000000000002 110.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -41.22 -53.38 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 2.1299999999999999 109.294 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.517 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.53 -42.79 88.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 4.4000000000000004 111.006 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -59.8 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 3.0800000000000001 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -61.36 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.6099999999999999 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 2.5099999999999998 110.403 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.804 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.276 -0.638 . . . . 2.0899999999999999 109.276 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.2 t -70.81 -38.33 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 2.1800000000000002 110.435 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -58.01 -51.62 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 2.8799999999999999 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.0 pt-20 -67.08 -33.79 76.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.1000000000000001 110.31 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 11.8 mm100 -70.27 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 2.8799999999999999 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.04 -19.6 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 3.0299999999999998 109.308 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.62 -60.79 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.73999999999999999 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.46 -44.57 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.4500000000000002 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m-85 -53.2 -22.61 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.2000000000000002 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -60.88 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.8799999999999999 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.11 -36.22 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 3.1800000000000002 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.4 -40.66 87.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.84999999999999998 109.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 44.8 t80 -39.69 -51.24 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.77 111.02 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -44.4 3.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 1.52 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.51 -58.26 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.63 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.644 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.2 m-30 -45.95 -39.36 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 3.0699999999999998 111.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -92.35 97.66 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.89000000000000001 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.06 -59.76 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 1.6000000000000001 109.283 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -45.55 -57.87 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 2.29 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 34.76 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.75 110.974 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 1.8 p30 -110.69 -41.74 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.737 . . . . 1.54 109.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' THR . . . 137.59 40.75 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 1.04 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.1 p -162.77 137.32 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 1.0800000000000001 110.403 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -97.75 86.1 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.85999999999999999 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.7 m -47.69 141.86 5.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.82999999999999996 110.371 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.688 ' HA ' HG21 ' A' ' 52' ' ' ILE . 64.5 p -41.8 -51.42 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.55000000000000004 110.399 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.39 84.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.4199999999999999 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' THR . 39.3 mt-10 -65.2 -28.06 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 2.3799999999999999 110.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -65.92 -39.62 90.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 2.23 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.61 -24.7 75.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.51000000000000001 110.98 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -63.23 -51.08 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.66000000000000003 110.402 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 19' ' ' PHE . 61.5 t -54.55 -49.93 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.3100000000000001 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.7 mmt -37.75 -55.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.6000000000000001 111.019 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.504 ' HD3' ' ND2' ' A' ' 42' ' ' ASN . 8.3 mtm180 -50.4 -46.69 56.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 3.5600000000000001 110.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -25.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.99 109.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -87.9 -47.39 8.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.8400000000000001 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.33 43.95 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 2.1000000000000001 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.408 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -148.9 145.74 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 3.5600000000000001 110.292 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.504 ' ND2' ' HD3' ' A' ' 37' ' ' ARG . 4.9 m120 -125.99 71.99 69.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 2.2400000000000002 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.95 174.22 13.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.63 111.036 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.556 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -97.94 145.39 26.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.81000000000000005 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -19.97 65.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.8100000000000001 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.45 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.63 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.07 -40.73 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.98 110.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -71.0 -28.75 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.5 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 44.2 tt0 -49.31 -38.55 28.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 1.72 110.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -71.18 -30.18 66.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.0600000000000001 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.6 mmt -70.44 -59.86 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.1699999999999999 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.46 -49.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.56000000000000005 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.967 ' N ' HD12 ' A' ' 52' ' ' ILE . 24.0 t-20 -65.36 -32.57 74.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 1.5 109.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.51 -60.02 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.76 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 22.8 m -58.04 -44.79 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.40000000000000002 109.31 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASP . 10.5 t0 -53.22 110.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.5700000000000001 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.09 -55.11 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.55000000000000004 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -43.59 -34.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.2599999999999998 109.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 98.17 107.75 2.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.90000000000000002 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -170.32 -56.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 2.7000000000000002 109.304 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 120.26 30.84 1.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 1.29 110.974 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -147.77 161.56 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.91000000000000003 110.405 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 52' ' ' ILE . 3.8 mt -90.65 159.7 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.81000000000000005 109.263 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.8 m-20 -140.91 -173.89 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.6099999999999999 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.91 -49.11 10.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.04 110.986 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.01 -29.45 8.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.57999999999999996 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -70.29 -60.14 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 1.8999999999999999 110.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.1 t80 -56.25 -36.69 68.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.6000000000000001 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.75 -50.28 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 1.7 109.292 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -70.4 -48.61 55.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.05 110.366 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.445 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -43.13 -59.8 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 2.8999999999999999 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -56.43 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 2.8199999999999998 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.35 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.98999999999999999 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -60.88 -38.68 86.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 3.6400000000000001 110.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -58.49 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 3.3799999999999999 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -43.76 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 4.7699999999999996 111.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -52.33 66.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 2.4399999999999999 109.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -58.73 7.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 2.5600000000000001 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 3.4900000000000002 110.394 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.328 -0.619 . . . . 5.0599999999999996 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 13.6 t0 88.45 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 7.3300000000000001 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' C ' ' N ' ' A' ' 5' ' ' THR . 3.4 mt-30 -140.69 33.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 8.5 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER 40.43 28.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 2.3999999999999999 109.272 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 3' ' ' GLN . 2.2 m -71.67 -29.85 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.73 110.376 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.81 -60.82 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 3.4500000000000002 110.346 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.58 ' OE2' HD13 ' A' ' 4' ' ' LEU . 3.5 pt-20 -56.19 -37.01 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 2.5899999999999999 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.32 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 3.0299999999999998 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -45.08 -41.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 2.8500000000000001 109.337 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.18 -58.85 4.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.5 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.43 -45.15 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 2.6000000000000001 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -28.14 18.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.8500000000000001 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -66.23 -55.25 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.8 109.286 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.21 -35.03 71.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 3.29 110.304 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -66.52 -46.64 75.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.69999999999999996 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CG ' ' CE2' ' A' ' 65' ' ' PHE . 14.3 t80 -37.6 -39.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.9399999999999999 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -51.29 -48.64 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.1499999999999999 110.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 14.6 mt -70.13 -59.97 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.55000000000000004 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 35' ' ' VAL . 19.2 m-85 -42.17 -35.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 2.8199999999999998 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 2.7 t0 -89.04 89.98 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.1000000000000001 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HE3' ' HB ' ' A' ' 34' ' ' THR . 55.2 mmtt -73.7 -58.92 2.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 1.6399999999999999 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 20.6 p-10 -55.39 -48.98 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 3.98 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 89.73 42.46 5.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.155 . . . . 0.83999999999999997 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' OD1' ' OD2' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -115.85 11.65 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 2.2799999999999998 109.321 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.75 -12.95 55.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 1.28 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.585 HG23 ' OD1' ' A' ' 64' ' ' ASP . 19.5 m -111.48 142.27 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 2.02 110.384 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.8 mp -103.61 103.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.69999999999999996 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.1 m -76.43 152.13 36.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.65000000000000002 110.411 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.649 HG22 HG12 ' A' ' 52' ' ' ILE . 62.1 p -37.69 -40.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.59999999999999998 110.412 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -64.99 -51.63 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 3.6000000000000001 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 34.4 mt-10 -49.38 -34.84 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 2.27 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.946 HD12 HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -70.95 -56.56 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 1.6799999999999999 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.35 -21.04 59.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.46000000000000002 111.001 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' HE3' ' A' ' 21' ' ' LYS . 91.9 m -67.88 -53.68 24.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.65000000000000002 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 19' ' ' PHE . 40.1 t -57.11 -53.46 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.4099999999999999 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.76 -43.92 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 2.3100000000000001 110.977 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mtt180 -58.76 -44.86 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 4.6299999999999999 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -53.4 -19.83 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 109.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.5 mt -89.22 16.37 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 2.1099999999999999 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 88.8 -41.93 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 2.2599999999999998 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -49.95 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 4.1699999999999999 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -154.39 64.83 4.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.78 109.3 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.95 169.07 23.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.66000000000000003 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -112.26 143.24 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.03 110.444 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -20.73 9.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 2.6299999999999999 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.74 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.55000000000000004 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -38.62 73.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 2.0899999999999999 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.55 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -70.84 -24.72 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.68999999999999995 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.54 -35.65 72.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.6000000000000001 110.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.88 -33.85 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.77 109.323 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.3 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 3.4399999999999999 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 63' ' ' ILE . 2.8 pp -47.97 -46.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.44 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.772 ' N ' HD12 ' A' ' 52' ' ' ILE . 54.5 t30 -62.34 -34.13 76.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 2.1499999999999999 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -59.95 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.1899999999999999 110.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG3' ' A' ' 71' ' ' MET . 20.6 m -58.31 -48.62 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.53000000000000003 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' N ' HG23 ' A' ' 55' ' ' VAL . 25.5 t70 -43.88 108.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.78000000000000003 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.44 -57.18 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.70999999999999996 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -39.5 -35.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 2.0800000000000001 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.58 109.63 2.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.91000000000000003 111.056 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 3.0 p30 176.88 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 2.8100000000000001 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 119.36 45.51 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 1.29 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -152.88 166.35 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 110.437 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.946 HD11 HD12 ' A' ' 32' ' ' LEU . 1.2 mt -106.54 178.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.79000000000000004 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.1 m-20 -166.88 176.77 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 3.1400000000000001 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.84 -50.77 86.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 2.2400000000000002 110.986 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.786 . . . . 0.66000000000000003 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.94 -60.52 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.53 110.265 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.5 t80 -51.82 -45.58 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.5600000000000001 110.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -43.58 -45.55 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.7 109.302 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -64.0 -46.73 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.68000000000000005 110.431 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -51.1 -59.85 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.6899999999999999 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.0 -55.08 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.5 111.02 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.85 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.66000000000000003 109.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -20.62 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.79 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.63 -57.58 11.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 2.48 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -61.35 -26.99 68.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 5.5199999999999996 110.983 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.1 tppp? -60.61 -55.53 32.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 2.6000000000000001 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -59.99 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.8599999999999999 109.359 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 2.96 110.391 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.275 -0.639 . . . . 5.4500000000000002 109.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.28 35.65 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 6.29 109.316 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.81 -49.94 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 6.1200000000000001 110.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.717 HD12 ' CD ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -175.61 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 2.8399999999999999 109.301 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 9' ' ' ILE . 3.4 m -37.47 -32.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.6599999999999999 110.414 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.4 tt0 -62.52 -60.36 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 2.3799999999999999 110.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -70.71 -28.31 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 2.4100000000000001 110.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.717 ' CD ' HD12 ' A' ' 4' ' ' LEU . 1.3 mp0 -70.11 -59.53 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 4.0800000000000001 110.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 5' ' ' THR . 2.0 pp -55.35 -19.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 3.1800000000000002 109.265 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -69.16 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.54000000000000004 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.5 -44.86 63.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 2.6600000000000001 110.257 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 m-85 -50.2 -32.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 2.0600000000000001 110.974 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -57.61 -59.38 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 2.1200000000000001 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -31.53 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 3.9900000000000002 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -65.63 -43.28 90.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.63 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 27' ' ' ILE . 28.5 t80 -39.06 -42.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 1.77 111.041 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -49.59 -53.87 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.5900000000000001 109.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -67.89 -59.91 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.67000000000000004 109.26 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.9 m-85 -42.09 -45.84 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.8700000000000001 110.996 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 8.7 t0 -86.04 100.06 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.0800000000000001 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 55.4 mmtt -73.84 -57.84 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 1.6499999999999999 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -51.0 -65.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 2.5600000000000001 109.3 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.59 41.99 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.76000000000000001 110.995 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -111.2 -21.4 11.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 1.48 109.328 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 26' ' ' THR . . . 116.79 32.49 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.94999999999999996 111.058 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 25' ' ' GLY . 5.2 p -158.94 128.25 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 1.0600000000000001 110.434 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.0 mp -88.8 79.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.69999999999999996 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m -52.29 154.34 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.66000000000000003 110.431 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 45.0 p -45.08 -43.76 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.45000000000000001 110.4 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -63.0 -41.95 99.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.3999999999999999 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 20' ' ' ASP . 53.4 mt-10 -57.51 -41.72 81.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 2.0299999999999998 110.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -63.53 -44.18 94.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.6499999999999999 109.347 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.18 -23.72 77.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.65000000000000002 110.982 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.2 m -69.91 -60.19 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.62 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 36' ' ' MET . 11.8 p -50.7 -51.93 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 2.0099999999999998 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.503 ' N ' HG13 ' A' ' 35' ' ' VAL . 8.5 mmm -41.64 -45.41 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 2.6000000000000001 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 1.2 mtm105 -61.36 -46.36 90.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 3.3100000000000001 110.349 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 t -57.71 -19.15 25.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.4199999999999999 110.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.93 23.57 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 1.9199999999999999 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.26 -46.23 3.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.525 1.141 . . . . 1.99 111.028 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 53.2 mm-40 -52.59 -174.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 3.3100000000000001 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.6 t30 -163.65 60.6 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.8100000000000001 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.99 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.82999999999999996 111.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.713 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.0 p -102.0 152.57 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.79000000000000004 110.383 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.1 -19.33 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 3.02 110.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -60.22 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.51000000000000001 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.19 -38.13 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 2.2200000000000002 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.76 -29.08 65.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.52000000000000002 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -53.52 -36.97 62.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.96 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -35.09 71.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 2.3100000000000001 109.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -53.82 12.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 2.4900000000000002 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.5 pp -52.86 -41.42 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.37 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 52' ' ' ILE . 37.4 t30 -67.35 -30.94 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.7 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.67 -57.92 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 2.73 110.241 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 71' ' ' MET . 6.2 m -60.83 -37.26 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.45000000000000001 109.355 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.12 109.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.83999999999999997 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 -54.24 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.55000000000000004 109.257 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 20.3 p-10 -45.8 -31.71 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 2.6800000000000002 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 107.36 1.45 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.14 . . . . 0.72999999999999998 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.9 p30 176.26 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.8700000000000001 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.29 42.42 0.7 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 1.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 21.4 m -140.39 167.06 23.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.77000000000000002 110.396 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 2.5 mt -107.48 165.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.65000000000000002 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.7 t0 -158.04 177.49 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 2.77 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.07 -50.58 83.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 2.5099999999999998 111.023 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.07 -28.68 8.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.79000000000000004 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.4 -59.8 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.53 110.309 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.62 -38.63 81.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.6799999999999999 110.961 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -42.3 -52.93 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.9199999999999999 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -65.88 -50.34 64.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.83999999999999997 110.426 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.74 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -38.58 -60.91 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.138 . . . . 2.3799999999999999 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . 7.2 tpt -60.54 -60.18 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 2.8300000000000001 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.08 -58.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.67000000000000004 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.49 -33.66 72.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 4.21 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -46.79 -59.15 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 2.6699999999999999 109.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -53.3 -42.62 66.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 3.8599999999999999 111.001 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -60.08 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 2.9900000000000002 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.94 -61.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 2.8399999999999999 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 76' ' ' MET . 12.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 2.2999999999999998 110.369 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.913 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 5.6100000000000003 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.65 26.06 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 6.2300000000000004 109.294 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.543 ' HB3' HD13 ' A' ' 4' ' ' LEU . 1.4 tt0 -125.69 -57.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 6.1799999999999997 110.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.944 HD22 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -176.68 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 2.7799999999999998 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.944 ' N ' HD22 ' A' ' 4' ' ' LEU . 12.6 p -37.58 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 2.5800000000000001 110.389 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.913 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 3.2 tm-20 -62.59 -57.57 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.1100000000000003 110.317 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.3 pt-20 -69.79 -36.98 76.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 2.1400000000000001 110.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.7 mm-40 -64.44 -54.16 36.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 3.0600000000000001 110.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 5' ' ' THR . 6.6 mm -49.89 -39.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 2.5 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.33 -56.95 11.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.63 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.97 -47.33 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.9199999999999999 110.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -47.35 -39.6 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 2.2799999999999998 111.017 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -58.05 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.48 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -38.2 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 3.5800000000000001 110.354 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -56.07 -48.7 75.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.758 ' CD1' ' CE2' ' A' ' 65' ' ' PHE . 60.2 t80 -37.3 -52.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.8600000000000001 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -56.18 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.3799999999999999 109.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.02 -52.69 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.73999999999999999 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.775 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.7 t80 -42.72 -41.04 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 5.5999999999999996 110.989 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.75 102.97 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 1.0900000000000001 109.278 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HE2' HG22 ' A' ' 35' ' ' VAL . 65.4 mmtt -75.58 -43.66 47.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.6299999999999999 109.264 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.18 -48.16 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 2.52 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.35 44.17 5.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.78000000000000003 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.4 p30 -120.45 29.6 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 2.0099999999999998 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.92 44.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.98999999999999999 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -137.45 123.81 20.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.805 . . . . 1.26 110.388 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.4 mp -99.68 94.02 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.97999999999999998 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -57.63 151.79 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.82999999999999996 110.433 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.597 ' HA ' HG21 ' A' ' 52' ' ' ILE . 67.5 p -43.43 -52.2 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.57999999999999996 110.435 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.24 -39.09 85.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 2.4700000000000002 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 2.8 mt-10 -56.07 -31.84 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 1.6699999999999999 110.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.048 HD12 HD11 ' A' ' 63' ' ' ILE . 3.7 tt -66.33 -51.72 54.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.6100000000000001 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.66 -26.48 60.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.62 111.009 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -63.18 -44.82 94.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.72999999999999998 110.394 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 19' ' ' PHE . 31.3 t -68.89 -50.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 1.47 109.26 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mmt -49.61 -60.25 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 2.1699999999999999 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -62.61 -35.27 79.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 3.48 110.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -53.83 -21.58 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 2.5699999999999998 110.001 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.89 -70.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.4500000000000002 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.64 34.8 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 1.74 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -133.93 -173.19 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 2.96 110.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.9 t30 -166.39 61.67 0.68 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.8799999999999999 109.338 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.51000000000000001 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.678 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -100.03 151.03 21.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.56000000000000005 110.398 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.7 -21.5 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.9100000000000001 110.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.32 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.46999999999999997 109.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.18 -40.88 62.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.6299999999999999 110.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 44' ' ' THR . 4.3 mm? -70.45 -29.84 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.52000000000000002 109.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.39 -38.05 65.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 2.25 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.68 -33.29 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.8799999999999999 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 mtt -70.53 -54.97 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 3.48 111.031 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -51.99 -33.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.55000000000000004 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.829 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.3 t30 -61.46 -33.49 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 1.9299999999999999 109.346 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.97 -58.5 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.1299999999999999 110.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.511 HG21 HG23 ' A' ' 63' ' ' ILE . 2.1 m -57.8 -39.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.62 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.74 109.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.02 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.02 -57.35 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.05 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -43.01 -34.76 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.8300000000000001 109.294 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.71 105.13 2.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.89000000000000001 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 168.3 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 2.73 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.58 -50.57 0.58 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.491 1.12 . . . . 2.73 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 27' ' ' ILE . 99.4 m -51.76 162.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 1.04 110.41 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.048 HD11 HD12 ' A' ' 32' ' ' LEU . 1.7 mt -102.58 178.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.84999999999999998 109.276 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 63' ' ' ILE . 14.9 t0 -152.63 177.77 10.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 2.8500000000000001 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.758 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -61.93 -52.98 64.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 2.2599999999999998 110.953 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.956 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.73999999999999999 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE1' ' OD2' ' A' ' 58' ' ' ASP . 38.4 mt-10 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.8500000000000001 110.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 1.2 t80 -64.76 -45.21 87.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 2.0099999999999998 110.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.96 -33.16 36.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 1.8500000000000001 109.3 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -71.59 -33.22 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.72999999999999998 110.4 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -59.75 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.77 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.493 ' HE3' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.53 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 6.9800000000000004 110.987 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' N ' ' SD ' ' A' ' 72' ' ' MET . . . -60.58 -55.85 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.1000000000000001 109.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 4.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -59.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 3.1699999999999999 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.628 ' HA ' HG22 ' A' ' 79' ' ' THR . 25.6 mtt -53.57 -42.42 67.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 3.1400000000000001 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 2.5499999999999998 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -59.96 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 3.8399999999999999 109.353 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.628 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 2.8500000000000001 110.395 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.278 -0.638 . . . . 5.7599999999999998 109.278 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.35 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 6.21 109.336 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 2.3 mt-30 -140.06 -72.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 6.8799999999999999 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -173.35 32.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 2.8100000000000001 109.334 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 m -71.68 -58.87 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 2.1800000000000002 110.39 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.3 -52.43 63.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 3.1499999999999999 110.328 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 mt-10 -51.72 -49.55 62.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 3.8599999999999999 110.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.455 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.3 mm-40 -66.24 -57.12 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 2.8799999999999999 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 16.7 mm -39.42 -39.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 2.5 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -58.42 -57.29 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.63 109.268 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.36 -48.16 68.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 2.79 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 72' ' ' MET . 1.2 m-85 -53.99 -45.68 71.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.9299999999999999 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -60.43 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 2.8900000000000001 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.63 -50.72 56.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 3.2599999999999998 110.273 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.648 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -46.01 -46.52 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.60999999999999999 109.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.2 t80 -36.28 -45.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.9299999999999999 111.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.67 -53.37 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.5800000000000001 110.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' ALA . 77.2 mt -70.82 -56.27 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.65000000000000002 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.0 m-85 -45.37 -42.55 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 2.8799999999999999 111.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -89.64 99.68 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.97999999999999998 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.643 ' HE2' HG22 ' A' ' 35' ' ' VAL . 66.3 mmtt -71.73 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.6799999999999999 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.35 -53.26 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 2.3700000000000001 109.32 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.91 33.74 6.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.81000000000000005 110.946 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -108.45 9.48 27.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.8400000000000001 109.315 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.84 50.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.6699999999999999 110.99 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' CG2' ' A' ' 62' ' ' THR . 4.4 m -102.62 136.51 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 1.75 110.388 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.8 mp -103.14 94.31 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.67000000000000004 109.352 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -62.95 157.21 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.53000000000000003 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 29' ' ' THR . 44.0 p -53.23 -50.49 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.55000000000000004 110.402 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.78 -36.96 72.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 2.4199999999999999 109.289 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.52 -32.72 73.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.6599999999999999 110.329 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.942 HD12 HD11 ' A' ' 63' ' ' ILE . 1.9 tt -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.6399999999999999 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.58 -19.34 70.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.5 110.969 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -69.56 -42.41 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.62 110.391 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.826 HG21 ' HA ' ' A' ' 19' ' ' PHE . 22.0 t -70.79 -51.29 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.3999999999999999 109.37 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -43.54 -60.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 2.0299999999999998 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -61.29 -39.36 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 4.5099999999999998 110.29 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.38 -26.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.6599999999999999 110.005 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.68 -44.01 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.8200000000000001 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 164.59 -32.16 0.25 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.105 . . . . 1.6599999999999999 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 mt-30 -61.06 -172.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 2.9900000000000002 110.261 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 t-20 -167.51 60.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.8200000000000001 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.07 173.62 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.62 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.1 p -100.97 150.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.63 110.385 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.38 -19.93 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 2.6800000000000002 110.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.34 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.46999999999999997 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -51.56 -42.84 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 3.23 110.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.51 -23.79 62.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.59999999999999998 109.338 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.4 -36.33 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 2.4300000000000002 110.3 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -71.13 -33.83 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.8100000000000001 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -70.56 -56.74 5.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 2.5299999999999998 111.039 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.535 HG22 HD11 ' A' ' 63' ' ' ILE . 2.6 pp -51.51 -39.51 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.5 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' HD12 ' A' ' 52' ' ' ILE . 18.3 t30 -64.93 -32.49 74.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.54 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -70.59 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 2.9900000000000002 110.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 71' ' ' MET . 12.9 m -58.83 -44.04 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.68000000000000005 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.79 107.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.85999999999999999 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -105.74 -46.87 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.80000000000000004 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -41.76 -30.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 2.48 109.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 95.09 99.31 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.91000000000000003 111.009 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 176.22 -67.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 2.2200000000000002 109.342 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.93 43.91 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 1.1699999999999999 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.556 ' CG2' HG22 ' A' ' 26' ' ' THR . 17.7 m -140.18 173.3 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.65000000000000002 110.412 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 32' ' ' LEU . 15.8 mt -108.72 170.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.69999999999999996 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 17.7 t0 -163.24 171.61 15.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.7000000000000002 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -55.03 -50.84 84.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 2.4300000000000002 110.998 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -31.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.81000000000000005 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.27 -60.43 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 2.02 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -54.82 -34.09 62.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 1.5700000000000001 111.031 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -51.0 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.5299999999999998 109.287 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.1 m -67.36 -42.92 82.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.95999999999999996 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.539 ' HB2' HG11 ' A' ' 55' ' ' VAL . 5.0 tpt -50.81 -60.51 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 2.21 110.992 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -56.15 -60.12 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.8599999999999999 111.009 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -44.92 -56.1 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.01 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -60.53 -32.11 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 5.7000000000000002 110.279 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -59.3 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 2.9500000000000002 109.252 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 3.7 ptm -60.31 -25.37 65.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 3.5600000000000001 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -59.35 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 3.04 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -44.78 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 5.0499999999999998 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 2.98 110.407 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.299 -0.63 . . . . 5.6399999999999997 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 55.05 19.88 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 7.3300000000000001 109.285 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -37.62 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 8.5700000000000003 110.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.822 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -126.81 -43.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 2.1699999999999999 109.308 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.735 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.0 p -53.55 -45.35 69.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 3.7599999999999998 110.452 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.66 -43.48 93.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 3.8599999999999999 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -71.56 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 3.0899999999999999 110.312 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.4 pt20 -49.62 -40.09 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 6.1299999999999999 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 5' ' ' THR . 11.6 mm -70.46 -29.16 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 2.9300000000000002 109.315 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.5 -43.3 77.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0600000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.92 -47.64 57.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 4.5999999999999996 110.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 10.5 m-85 -57.62 -28.41 63.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 2.3900000000000001 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -60.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 2.0800000000000001 109.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.93 -32.77 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 5.6900000000000004 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -66.87 -56.25 11.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.95999999999999996 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 40.5 t80 -36.55 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.79 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.23 -53.48 56.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.54 110.008 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.2 mt -70.26 -51.31 31.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.83999999999999997 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.3 m-85 -55.51 -35.8 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 3.5 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 27.9 t0 -96.59 39.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.6799999999999999 109.285 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -38.14 -45.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.78 109.279 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -49.34 -53.46 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 2.2799999999999998 109.315 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 88.02 39.81 6.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.137 . . . . 0.81000000000000005 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 0.9 OUTLIER -112.14 -35.71 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 2.7000000000000002 109.336 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.77 -4.65 5.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.15 . . . . 0.97999999999999998 111.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.527 ' C ' HD12 ' A' ' 27' ' ' ILE . 26.6 p -122.31 149.62 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 1.22 110.438 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -104.25 77.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.72999999999999998 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.755 ' HA ' HG23 ' A' ' 62' ' ' THR . 24.3 m -45.63 141.83 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.53000000000000003 110.418 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 p -41.87 -36.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.57999999999999996 110.449 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' H ' HG22 ' A' ' 28' ' ' THR . 16.0 pttp -62.73 -47.11 85.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 4.2199999999999998 109.328 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.3 mt-10 -62.58 -31.22 72.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.79 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 HD12 ' A' ' 48' ' ' LEU . 1.7 tm? -63.52 -53.18 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 2.3500000000000001 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.08 -28.5 70.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.47999999999999998 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -62.26 -49.09 77.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.59999999999999998 110.389 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 31' ' ' GLU . 47.7 t -57.5 -50.01 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.4399999999999999 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' VAL . 12.0 mmt -37.06 -54.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.6200000000000001 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -49.44 -48.34 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 4.9699999999999998 110.311 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -45.88 -29.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.71 109.946 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 88.0 mt -89.45 -33.68 16.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.5700000000000001 109.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 142.58 -48.98 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.9099999999999999 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -49.86 139.34 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 4.6200000000000001 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.417 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 m-80 -132.02 64.03 70.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 4.0800000000000001 109.273 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.0 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.777 . . . . 0.76000000000000001 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -109.05 141.43 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.56000000000000005 110.367 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -19.8 35.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 3.0299999999999998 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -57.73 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.45000000000000001 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.24 -43.54 70.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.97 110.316 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 32' ' ' LEU . 3.9 mm? -70.86 -24.49 62.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.55000000000000004 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.7 tt0 -51.39 -37.76 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 2.1299999999999999 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.37 -32.17 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.8700000000000001 109.276 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.7 -57.97 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.6800000000000002 111.034 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -49.64 -43.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.34000000000000002 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.765 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 m-20 -65.0 -33.01 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.0800000000000001 109.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.29 -60.19 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 2.3300000000000001 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 56' ' ' ASP . 12.0 m -56.65 -46.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.40999999999999998 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.4 t70 -50.48 108.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.77000000000000002 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.42 -58.16 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.60999999999999999 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 1.2 p30 -39.86 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 2.1600000000000001 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 101.71 1.82 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.81000000000000005 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 2.75 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.729 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 118.81 23.3 3.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 1.29 111.028 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.755 HG23 ' HA ' ' A' ' 28' ' ' THR . 39.1 m -135.75 161.02 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.84999999999999998 110.376 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 52' ' ' ILE . 8.6 mt -89.35 168.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.66000000000000003 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' N ' HG22 ' A' ' 63' ' ' ILE . 5.8 t0 -151.33 174.25 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.3500000000000001 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -62.26 -52.31 67.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 2.2200000000000002 110.984 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.845 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -26.47 10.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.63 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 70.8 mt-10 -70.39 -60.35 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.54 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -55.36 -39.88 70.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.73 111.028 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -47.96 -43.44 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 2.2000000000000002 109.324 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 3.0 m -71.11 -41.0 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.67000000000000004 110.392 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.03 -60.14 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 2.79 110.988 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -60.47 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 2.7799999999999998 111.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.52 -56.88 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.79000000000000004 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -60.84 -40.25 92.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 3.8199999999999998 110.302 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -45.75 -59.33 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 109.274 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -43.64 55.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 3.46 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -56.95 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 2.3900000000000001 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -62.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 2.7999999999999998 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 75' ' ' LYS . 8.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.98 110.427 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.256 -0.646 . . . . 8.4199999999999999 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -46.76 86.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 6.3899999999999997 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' THR . 7.5 pm0 -141.59 20.64 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 8.7799999999999994 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' C ' HD13 ' A' ' 4' ' ' LEU . 3.4 tm? 69.69 -61.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 2.3199999999999998 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 HG13 ' A' ' 9' ' ' ILE . 17.0 m -45.47 -24.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 2.1099999999999999 110.398 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.6 tt0 -56.43 -61.49 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.75 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -32.64 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 2.2799999999999998 110.322 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 1.4 tp60 -63.51 -49.64 72.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 3.6200000000000001 110.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 5' ' ' THR . 5.7 mt -49.3 -46.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.52 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.83 -47.85 42.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.56000000000000005 109.304 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.91 -49.26 47.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 2.5099999999999998 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 8' ' ' GLN . 15.3 m-85 -55.56 -44.95 77.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 3.0299999999999998 111.052 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 3.5899999999999999 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ALA . 2.0 mm-40 -71.7 -56.25 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 3.6299999999999999 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -39.35 -46.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.68000000000000005 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 64.5 t80 -34.38 -57.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 1.8300000000000001 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' PHE . 1.1 t -37.55 -47.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.3100000000000001 109.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.0 mt -70.28 -58.21 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 1.1000000000000001 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' HG21 ' A' ' 35' ' ' VAL . 17.4 m-85 -44.14 -54.35 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 2.96 110.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -76.28 97.76 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.92000000000000004 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -74.35 -55.17 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 1.6399999999999999 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.75 -58.48 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 2.23 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.67 36.28 4.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.69999999999999996 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.75 -38.66 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 1.76 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 26' ' ' THR . . . 129.93 39.68 0.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.94999999999999996 111.05 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 25' ' ' GLY . 10.1 p -158.8 123.24 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 1.1499999999999999 110.399 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.4 mp -86.73 79.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.79000000000000004 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.687 HG21 ' HE3' ' A' ' 30' ' ' LYS . 52.7 m -46.06 150.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.54000000000000004 110.408 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.701 ' HA ' HG21 ' A' ' 52' ' ' ILE . 62.6 p -48.84 -48.93 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.52000000000000002 110.357 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HE3' HG21 ' A' ' 28' ' ' THR . 8.0 ptpt -65.96 -35.22 80.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 3.3399999999999999 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.67 -28.73 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 2.0899999999999999 110.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD22 HD11 ' A' ' 63' ' ' ILE . 33.9 tp -65.71 -49.45 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 2.1899999999999999 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.14 -34.85 67.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.52000000000000002 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -55.13 -55.21 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.59999999999999998 110.383 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 19' ' ' PHE . 79.2 t -51.17 -53.6 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 1.3600000000000001 109.291 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -41.39 -51.53 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 1.6200000000000001 110.953 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 0.8 OUTLIER -59.27 -40.41 85.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 5.5099999999999998 110.312 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -56.31 -23.06 34.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.6399999999999999 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.6 -43.19 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.6299999999999999 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.55 44.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 1.7 110.969 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -140.02 -174.73 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 3.1000000000000001 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -156.41 62.31 2.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.78 109.277 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.96 166.58 28.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.60999999999999999 111.004 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -101.35 152.77 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.58999999999999997 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -19.64 65.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.0299999999999998 110.271 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.68 -60.44 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.66000000000000003 109.358 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.19 -44.44 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.78 110.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -71.07 -24.99 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.5 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 24.0 tt0 -49.42 -39.55 33.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 2.46 110.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.53 -32.93 70.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 2.1200000000000001 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.0 mmt -70.52 -59.09 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.7400000000000002 110.998 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.63 -46.74 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.40999999999999998 109.291 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.938 ' N ' HD12 ' A' ' 52' ' ' ILE . 63.6 t-20 -65.3 -32.69 74.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.78 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.62 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.73 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 56' ' ' ASP . 33.9 m -53.63 -50.55 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.48999999999999999 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.1 t70 -54.07 106.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 1.5 109.295 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -88.24 -55.7 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.70999999999999996 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.93 -33.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 2.3199999999999998 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.43 98.06 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.115 . . . . 1.1499999999999999 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -164.2 -55.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 0.762 . . . . 2.8599999999999999 109.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.56 36.81 0.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 1.27 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 28' ' ' THR . 24.7 m -146.77 154.79 41.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.63 110.422 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.691 HD11 HD22 ' A' ' 32' ' ' LEU . 16.2 mt -100.54 171.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.68999999999999995 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.6 m-20 -152.86 -172.08 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 3.1800000000000002 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -63.44 -49.85 76.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 2.3799999999999999 110.984 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 1.3700000000000001 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 73.7 mt-10 -43.1 -57.11 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.6200000000000001 110.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.9 t80 -58.9 -52.57 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.5700000000000001 110.951 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.33 -41.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.79 109.26 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -69.58 -45.47 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 1.02 110.418 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -50.5 -60.26 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 2.4199999999999999 110.953 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -57.49 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 2.9399999999999999 111.018 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.72 -54.54 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.69999999999999996 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.09 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 3.4100000000000001 110.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -58.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 3.5800000000000001 109.359 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.563 ' HA ' HG22 ' A' ' 79' ' ' THR . 11.8 mtp -55.89 -45.47 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 3.6099999999999999 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -55.93 -57.13 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 2.8100000000000001 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.61 -60.97 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 3.5699999999999998 109.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.23 110.412 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 5.7800000000000002 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -66.8 -9.0 32.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 7.8899999999999997 109.291 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.98 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 6.7300000000000004 110.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -127.45 -60.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 2.3100000000000001 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 t -41.02 -33.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.1299999999999999 110.405 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 25.9 tt0 -58.78 -58.43 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 2.5800000000000001 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.28 -28.51 65.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.9099999999999999 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -69.68 -56.89 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 2.8599999999999999 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 9' ' ' ILE . 23.5 mm -49.78 -39.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.8900000000000001 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.05 -58.0 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.56000000000000005 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.67 -46.96 62.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 2.5099999999999998 110.326 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -49.32 -39.09 30.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.97 110.999 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -60.13 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 2.3999999999999999 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.84 -40.49 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 3.0499999999999998 110.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -52.48 -57.13 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 0.68000000000000005 109.253 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.8 t80 -34.84 -52.81 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.0800000000000001 111.04 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 t -39.3 -47.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.21 109.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' ALA . 21.3 mt -70.81 -60.28 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.67000000000000004 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -42.72 -43.01 3.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.7799999999999998 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.24 98.93 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 38.2 mmtt -70.04 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.6399999999999999 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -43.59 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 3.3799999999999999 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.4 40.91 0.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.89000000000000001 110.969 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -112.1 -31.23 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 1.5800000000000001 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 26' ' ' THR . . . 124.76 38.07 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.93999999999999995 111.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' GLY . 17.2 p -158.21 133.38 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 1.3400000000000001 110.457 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.5 mp -94.08 77.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.81000000000000005 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.49 ' HA ' HG23 ' A' ' 62' ' ' THR . 18.8 m -47.57 153.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.62 110.384 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.711 ' HA ' HG21 ' A' ' 52' ' ' ILE . 47.2 p -48.56 -51.1 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.66000000000000003 110.401 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -62.77 -37.38 86.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 2.6000000000000001 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.87 -26.44 68.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 2.2000000000000002 110.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.869 HD11 HD12 ' A' ' 48' ' ' LEU . 1.6 tm? -70.69 -43.99 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 2.1499999999999999 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.89 -19.14 78.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.52000000000000002 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 21' ' ' LYS . 89.5 m -66.0 -60.47 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.64000000000000001 110.358 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.731 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.8 p -54.83 -52.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.8799999999999999 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 35' ' ' VAL . 10.6 mmt -45.58 -49.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.1400000000000001 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -58.45 -48.2 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 5.9699999999999998 110.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 t -59.07 -19.37 43.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.5800000000000001 110.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.0 mt -89.79 35.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 2.4100000000000001 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLN . . . 80.59 -49.94 3.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 1.6499999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -49.05 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 3.9500000000000002 110.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.562 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.9 t30 -165.08 57.09 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.78 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 176.93 9.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.811 . . . . 0.63 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -105.65 150.68 25.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.55000000000000004 110.366 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -21.25 65.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.1400000000000001 110.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -59.55 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.39000000000000001 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.73 -45.32 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 2.02 110.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 HD11 ' A' ' 32' ' ' LEU . 4.2 mm? -70.59 -23.07 62.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.45000000000000001 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 21.9 tt0 -53.95 -37.65 64.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.5900000000000001 110.261 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.26 -31.01 66.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.1200000000000001 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mmm -70.46 -59.4 2.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.2200000000000002 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.006 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.58 -48.77 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.39000000000000001 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.006 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -62.93 -33.85 76.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 2.23 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.16 -59.67 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.8600000000000001 110.292 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.582 HG11 ' CG ' ' A' ' 71' ' ' MET . 17.4 m -59.02 -42.85 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.46999999999999997 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 29.1 t70 -50.22 108.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.73999999999999999 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.71 -44.41 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.57999999999999996 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 15.8 p-10 -51.15 -27.46 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.4199999999999999 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.67 109.63 1.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.81000000000000005 110.957 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 3.4 p-10 170.59 -54.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 2.5699999999999998 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.34 46.12 0.38 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 1.29 111.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 28' ' ' THR . 21.7 m -146.8 167.15 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.67000000000000004 110.354 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG22 ' A' ' 52' ' ' ILE . 22.3 mt -111.36 173.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.56999999999999995 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 63' ' ' ILE . 67.6 m-20 -168.0 -174.83 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 2.7000000000000002 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -51.86 -50.0 80.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.7000000000000002 111.005 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.1 Cg_endo -75.06 -64.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.564 1.823 . . . . 1.3500000000000001 110.945 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PRO . 55.7 mt-10 -34.75 -54.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.75 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.3 t80 -65.18 -48.55 73.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.54 111.035 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.43 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 2.0699999999999998 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -69.44 -40.86 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.79000000000000004 110.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.582 ' CG ' HG11 ' A' ' 55' ' ' VAL . 7.5 ttt -54.5 -58.66 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.4399999999999999 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LYS . 15.8 ttm -58.64 -59.22 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 3.3300000000000001 111.029 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.36 -55.09 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.93999999999999995 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 3.8 mmm180 -60.73 -26.26 67.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 6.25 110.271 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.73 -58.87 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 2.1600000000000001 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.751 ' HA ' HG22 ' A' ' 79' ' ' THR . 1.7 ptt? -61.61 -24.11 66.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 3.9500000000000002 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' MET . 16.1 ttmt -60.48 -60.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 3.6499999999999999 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.05 -59.99 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 4.6200000000000001 109.262 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.3599999999999999 110.429 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 4.75 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 45.73 32.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 5.8600000000000003 109.308 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -43.9 3.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 6.3399999999999999 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -172.32 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 2.2200000000000002 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -39.72 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.71 110.43 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -63.27 -60.29 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 2.5299999999999998 110.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pt-20 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 2.5699999999999998 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -70.55 -61.23 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 4.3399999999999999 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 5' ' ' THR . 2.4 pp -52.73 -25.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 3.4500000000000002 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.08 -60.25 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.53000000000000003 109.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.55 -45.61 65.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 2.6000000000000001 110.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.44 ' CG ' ' OE1' ' A' ' 8' ' ' GLN . 1.6 m-85 -48.17 -31.55 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.6200000000000001 111.046 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -57.67 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.0299999999999998 109.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.5 -38.07 71.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.2000000000000002 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -58.88 -49.24 78.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.71999999999999997 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 12.3 t80 -36.09 -49.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 2.0099999999999998 111.012 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 t -41.8 -45.62 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.4199999999999999 109.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' ALA . 24.7 mt -70.07 -60.31 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.58999999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HA ' HG21 ' A' ' 35' ' ' VAL . 25.1 m-85 -46.45 -51.69 14.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 2.7000000000000002 110.972 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' OD2' ' CA ' ' A' ' 25' ' ' GLY . 5.7 t0 -88.4 60.72 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.5700000000000001 109.256 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 34' ' ' THR . 0.3 OUTLIER -63.66 -17.21 62.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 1.6200000000000001 109.317 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -44.8 73.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 2.0800000000000001 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.35 36.03 13.32 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.87 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -128.29 12.07 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 1.6599999999999999 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' CA ' ' OD2' ' A' ' 20' ' ' ASP . . . 73.73 2.14 60.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 1.03 110.966 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.524 ' CG2' HG21 ' A' ' 62' ' ' THR . 58.3 m -116.98 133.01 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 2.1899999999999999 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mp -103.21 84.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.66000000000000003 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.7 m -55.52 147.57 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.45000000000000001 110.385 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 52' ' ' ILE . 71.9 p -41.92 -44.57 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.57999999999999996 110.422 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -61.44 -42.67 99.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 2.54 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' THR . 25.8 mt-10 -63.6 -30.11 71.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.1299999999999999 110.249 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 32' ' ' LEU . 1.6 tt -63.63 -52.4 61.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.6100000000000001 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.06 95.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 1.01 111.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.759 HG21 ' HD3' ' A' ' 21' ' ' LYS . 89.4 m -41.6 -54.66 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.58999999999999997 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 19' ' ' PHE . 13.1 t -62.16 -57.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.6699999999999999 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' VAL . 24.2 mmt -34.96 -52.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.0499999999999998 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -51.5 -58.14 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.8499999999999996 110.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -28.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.6000000000000001 109.949 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -87.09 46.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.4900000000000002 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.11 50.28 22.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.8400000000000001 111.008 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -140.97 -176.61 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 3.4300000000000002 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -172.55 64.01 0.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.8899999999999999 109.297 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.01 175.93 10.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.803 . . . . 0.54000000000000004 110.999 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.625 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -108.49 141.78 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.57999999999999996 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -19.35 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 2.6400000000000001 110.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -55.46 18.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.52000000000000002 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.55 -37.29 86.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.6299999999999999 110.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.65 -25.63 63.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.56999999999999995 109.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 36.0 tt0 -56.82 -36.45 69.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.98 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.17 -34.15 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 2.1299999999999999 109.324 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -57.52 4.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 2.3199999999999998 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HG22 ' A' ' 29' ' ' THR . 2.4 pp -48.92 -43.55 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.44 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' N ' HD12 ' A' ' 52' ' ' ILE . 21.8 t-20 -66.6 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.29 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -70.55 -56.51 6.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.8799999999999999 110.298 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.77 HG11 ' HG3' ' A' ' 71' ' ' MET . 13.0 m -60.16 -46.02 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.53000000000000003 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.3 t70 -55.22 109.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.82999999999999996 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -97.5 -48.06 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.76000000000000001 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ALA . 1.6 p30 -40.33 -31.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 2.75 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.77 89.5 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 1.1200000000000001 111.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.53 -63.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 2.8799999999999999 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.45 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 1.3100000000000001 111.017 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.524 HG21 ' CG2' ' A' ' 26' ' ' THR . 25.2 m -150.13 166.9 28.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.66000000000000003 110.359 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HD12 ' A' ' 32' ' ' LEU . 2.0 mt -103.42 165.42 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.76000000000000001 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.6 t0 -152.03 166.94 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 2.4700000000000002 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -55.62 -50.86 84.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 2.3199999999999998 110.957 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -29.63 8.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.92000000000000004 110.977 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.93 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.0099999999999998 110.309 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.4 t80 -50.23 -39.85 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.6499999999999999 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.35 -55.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 3.1200000000000001 109.326 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -58.63 -52.13 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.78000000000000003 110.377 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.77 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.38 -61.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 2.71 111.038 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 3.1699999999999999 110.994 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.71 -57.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.92000000000000004 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -60.89 -40.38 92.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 4.6200000000000001 110.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -60.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 2.3999999999999999 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.614 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -49.91 -43.36 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 3.7200000000000002 111.003 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.86 52.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 3.9900000000000002 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -60.89 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 3.5699999999999998 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.0499999999999998 110.385 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.274 -0.639 . . . . 6.71 109.274 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' ALA . 14.0 t0 -38.86 -51.26 1.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 7.3200000000000003 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -178.94 35.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 7.8700000000000001 110.288 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -92.26 -33.8 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 2.6899999999999999 109.355 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.9 t -58.61 -21.84 54.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 2.0600000000000001 110.371 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -61.81 -56.76 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 2.52 110.252 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.62 -29.78 65.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 2.6099999999999999 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 3.7 mm-40 -70.27 -60.58 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 2.98 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 69' ' ' LEU . 2.2 pp -51.34 -30.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.27 109.348 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -55.51 -59.87 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.55000000000000004 109.255 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.56 -45.07 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 2.9300000000000002 110.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -37.57 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 1.8 110.982 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -51.96 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 2.0600000000000001 109.303 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -32.49 70.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 3.7000000000000002 110.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -66.75 -42.54 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.71999999999999997 109.268 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 42.6 t80 -38.05 -39.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.8700000000000001 111.024 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -53.61 50.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.3200000000000001 109.997 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.3 -59.55 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.63 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.799 ' HA ' HG21 ' A' ' 35' ' ' VAL . 10.5 m-85 -44.23 -44.93 8.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.7200000000000002 110.994 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -99.96 46.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.45 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -41.2 -44.78 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.8100000000000001 109.304 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.97 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 2.3199999999999998 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.94 43.84 5.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.594 1.184 . . . . 0.79000000000000004 111.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 26.87 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 2.0299999999999998 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 27.13 13.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 1.1499999999999999 111.025 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -148.19 115.59 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.3500000000000001 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mp -83.24 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.91000000000000003 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.4 m -78.05 150.21 33.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.44 110.386 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 29' ' ' THR . 37.8 p -41.95 -30.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.60999999999999999 110.43 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' H ' HG22 ' A' ' 28' ' ' THR . 48.4 mttt -70.05 -44.49 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.4100000000000001 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.49 -34.43 64.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.96 110.35 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HD12 ' A' ' 48' ' ' LEU . 61.5 tp -71.16 -60.28 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 2.29 109.234 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.67 -32.0 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.59999999999999998 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 m -67.42 -57.55 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 0.64000000000000001 110.416 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.1 t -51.82 -49.8 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 1.4299999999999999 109.292 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mmt -37.83 -58.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 2.2200000000000002 110.977 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.6 mtp85 -56.87 -42.67 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 5.3700000000000001 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.5 t -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.5600000000000001 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 37' ' ' ARG . 80.9 mt -83.45 -48.3 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.6299999999999999 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 160.5 -43.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 1.74 110.957 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -45.73 172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 4.0700000000000003 110.282 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.6 m-80 -145.84 59.86 6.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 4.6399999999999997 109.318 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.93 172.3 16.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.66000000000000003 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.428 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -112.63 140.35 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.60999999999999999 110.429 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -19.64 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 3.3999999999999999 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.7 -58.91 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.46999999999999997 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.93 -38.62 73.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.8999999999999999 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 32' ' ' LEU . 4.1 mm? -70.3 -29.71 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.46000000000000002 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 52' ' ' ILE . 56.5 tt0 -51.85 -37.92 53.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.4099999999999999 110.296 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.7 -31.94 67.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.2400000000000002 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -70.67 -58.9 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 3.3599999999999999 110.952 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -47.13 -48.03 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.40999999999999998 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.739 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.3 t-20 -61.08 -35.27 76.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 1.3400000000000001 109.349 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -70.09 -60.33 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 2.1299999999999999 110.321 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.6 m -56.62 -47.63 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.53000000000000003 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 24.0 t70 -49.1 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.80000000000000004 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 -48.12 5.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.54000000000000004 109.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 36.7 p-10 -47.27 -30.13 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 2.46 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.45 111.94 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.77000000000000002 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.0 p30 173.13 -51.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 2.71 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 119.97 39.43 0.65 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 1.27 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 23.9 m -147.13 161.17 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.56999999999999995 110.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -99.89 178.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.71999999999999997 109.331 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.601 ' H ' HG22 ' A' ' 63' ' ' ILE . 19.3 t0 -167.21 172.15 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 2.6200000000000001 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -52.49 -52.92 59.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 2.1200000000000001 110.98 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -32.98 4.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.59999999999999998 110.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 51.5 mt-10 -66.0 -60.45 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.8700000000000001 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.605 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -52.33 -44.7 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.7 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD11 HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -43.13 -48.71 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 2.77 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -60.35 -48.63 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.84999999999999998 110.402 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.84 -60.42 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 2.8199999999999998 110.998 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -56.99 -59.86 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.6899999999999999 110.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -43.1 -54.79 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.68999999999999995 109.315 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 1.4 mmm180 -61.02 -35.85 77.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 6.3300000000000001 110.319 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.33 -60.02 4.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.4300000000000002 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 21.0 ptm -58.32 -28.9 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 3.5899999999999999 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.1 OUTLIER -60.93 -58.98 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.54 109.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.7999999999999998 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' MET . 11.7 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 2.8199999999999998 110.405 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.282 -0.636 . . . . 5.5 109.282 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' HA ' ' CB ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER 47.89 41.26 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 7.9699999999999998 109.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 1' ' ' ALA . 2.6 pt20 -118.81 -32.55 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 6.1900000000000004 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -174.76 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.9399999999999999 109.237 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.567 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -58.3 -22.39 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.99 110.427 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 2.0 tt0 -64.15 -60.82 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.6299999999999999 110.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.18 -31.6 69.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.8700000000000001 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 5.1 mm100 -68.84 -49.88 54.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 2.7799999999999998 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.9 mm -47.12 -44.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 1.127 . . . . 2.6099999999999999 109.264 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.23 80.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.88 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -70.36 -47.34 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.77 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 21.7 m-85 -59.96 -44.42 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 3.1699999999999999 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.36 -58.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 3.21 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.92 -32.14 73.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 3.4500000000000002 110.312 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -63.58 -59.04 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 1.5 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 17.6 t80 -37.44 -35.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 2.04 110.997 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.2 t -65.76 -52.1 53.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.25 110.032 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 65.9 mt -70.24 -49.57 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.68000000000000005 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.47 -44.63 92.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 4.5300000000000002 110.977 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.818 ' HB2' HD11 ' A' ' 27' ' ' ILE . 19.4 t0 -92.96 56.14 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.4199999999999999 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.89 ' NZ ' HG21 ' A' ' 34' ' ' THR . 3.3 pttt -57.07 -38.02 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 5.4900000000000002 109.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.57 -42.9 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.4900000000000002 109.273 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.82 43.07 36.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.83999999999999997 111.014 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.83 -20.44 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 2.02 109.305 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.85 2.21 27.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.84999999999999998 111.013 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 ' HB ' HG21 ' A' ' 62' ' ' THR . 0.9 OUTLIER -140.16 138.2 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 1.0600000000000001 110.396 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 20' ' ' ASP . 1.1 mp -95.53 97.6 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.70999999999999996 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.6 m -64.35 144.09 57.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.53000000000000003 110.423 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.466 ' HA ' HG21 ' A' ' 52' ' ' ILE . 51.0 p -37.22 -38.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.40000000000000002 110.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.514 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 pttt -63.79 -52.64 59.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 3.4900000000000002 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.899 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.4 mt-10 -45.95 -33.55 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.8 110.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 63' ' ' ILE . 2.7 tt -70.99 -59.91 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.6899999999999999 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.16 45.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.67000000000000004 110.961 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.89 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.6 m -63.6 -61.28 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 1.3 110.433 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 31' ' ' GLU . 90.6 t -43.78 -52.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.8400000000000001 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 43' ' ' PRO . 15.5 mmm -38.5 -54.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.1800000000000002 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -55.74 -43.22 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 3.73 110.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.71 -23.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.45 110.014 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.02 -35.73 17.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.6000000000000001 109.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 144.13 -50.09 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.8999999999999999 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -43.49 167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 4.3200000000000003 110.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 m120 -139.88 61.17 17.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 2.8399999999999999 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.76000000000000001 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -107.06 145.89 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.88 110.381 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.92 -20.05 65.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 2.3900000000000001 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -58.8 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.51000000000000001 109.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.1 -38.77 68.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 2.1800000000000002 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.33 -30.22 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.44 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -53.98 -36.87 63.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 1.49 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.91 -33.52 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 2.3500000000000001 109.309 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -57.66 4.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 2.73 111.041 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.568 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -49.77 -42.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.48999999999999999 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.568 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 t-20 -62.44 -35.04 78.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.6499999999999999 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -60.01 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 1.79 110.306 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.0 m -58.79 -34.86 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.62 109.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 22.7 t70 -65.69 109.38 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.97999999999999998 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -104.33 -46.27 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.71999999999999997 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.48 -30.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 2.8900000000000001 109.251 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 92.8 96.74 1.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.87 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -179.98 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 2.1800000000000002 109.33 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.14 46.59 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 1.25 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' HB ' ' A' ' 26' ' ' THR . 20.1 m -144.6 163.09 34.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.68999999999999995 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -99.96 179.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.89000000000000001 109.321 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 63' ' ' ILE . 34.5 t0 -172.73 -178.93 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 3.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.09 -50.8 85.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 2.9700000000000002 111.024 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.03 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.65000000000000002 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.93 -49.63 56.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.97 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 6.6 t80 -55.56 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 4.21 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -38.63 -51.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.4500000000000002 109.316 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.4 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 96.3 m -52.55 -48.9 65.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0700000000000001 110.397 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' PHE . 10.4 tpt -51.34 -60.37 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 2.98 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 3.0099999999999998 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.67000000000000004 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -60.56 -37.33 80.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.1499999999999999 110.274 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -47.51 -58.21 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.8900000000000001 109.314 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.508 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -55.14 -42.03 72.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 3.9199999999999999 110.982 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -57.75 11.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 3.4300000000000002 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -54.6 -61.12 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 3.02 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 75' ' ' LYS . 12.7 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.0099999999999998 110.411 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.331 -0.618 . . . . 7.1100000000000003 109.331 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 59.95 18.0 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 11.01 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 63.4 38.99 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 6.9500000000000002 110.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -106.04 -47.1 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 2.6000000000000001 109.33 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 13.8 t -41.94 -29.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 2.3399999999999999 110.385 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.0 tt0 -53.78 -60.22 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 2.79 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 3.8 pt-20 -68.53 -36.15 78.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 2.2999999999999998 110.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.82 -60.16 4.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 3.71 110.28 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -43.21 -39.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 2.8599999999999999 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -50.8 -58.31 6.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.5 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.51 -45.73 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.9700000000000002 110.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -52.61 -30.34 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 1.8700000000000001 111.017 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.92 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 2.1499999999999999 109.311 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.29 -35.82 73.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.04 110.322 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.803 ' HB1' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.61 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.73999999999999999 109.305 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 61.7 t80 -36.8 -47.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 1.74 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -43.64 -51.55 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.4299999999999999 109.975 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 14.8 mt -70.66 -60.71 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.60999999999999999 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.803 ' CZ ' ' HB1' ' A' ' 15' ' ' ALA . 18.6 m-30 -38.01 -38.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 3.2400000000000002 110.956 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -102.78 103.34 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0900000000000001 109.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.812 ' CE ' HG23 ' A' ' 35' ' ' VAL . 22.7 mmtp -72.41 -61.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.48 109.321 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.09 -62.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 2.3700000000000001 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.4 39.08 3.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.75 110.991 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.99 -36.69 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 1.4199999999999999 109.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' ' 26' ' ' THR . . . 130.94 39.22 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 1.1299999999999999 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.3 p -161.73 120.98 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.95999999999999996 110.403 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.3 mp -81.86 79.59 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.89000000000000001 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.46 ' HA ' HG23 ' A' ' 62' ' ' THR . 99.0 m -44.81 141.74 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.81999999999999995 110.407 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.505 ' HA ' HG21 ' A' ' 52' ' ' ILE . 70.8 p -44.93 -51.04 10.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.57999999999999996 110.364 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -58.66 -36.58 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.1899999999999999 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.24 -28.23 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.1800000000000002 110.287 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 48' ' ' LEU . 12.1 tp -69.25 -44.9 71.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.4500000000000002 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.13 -26.57 72.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.73999999999999999 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.481 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 87.0 m -66.47 -59.26 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.90000000000000002 110.401 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' CE ' ' A' ' 21' ' ' LYS . 2.4 t -44.93 -55.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.1399999999999999 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.845 ' HA ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 2.46 110.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -50.08 -46.06 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 5.6600000000000001 110.331 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -34.15 8.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.8200000000000001 109.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 36' ' ' MET . 3.3 mt -69.92 -43.93 70.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 2.3100000000000001 109.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 48.18 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 2.2000000000000002 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -122.75 -38.59 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 0.794 . . . . 3.8999999999999999 110.249 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.519 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER 54.71 59.28 11.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.7 109.297 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 178.73 6.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.56000000000000005 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.4 p -105.98 145.62 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.70999999999999996 110.436 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.8 -19.5 65.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 2.8300000000000001 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -57.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.48999999999999999 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.58 -40.11 74.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 2.0499999999999998 110.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.49 -27.65 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.68999999999999995 109.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.71 -37.13 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.3600000000000001 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.77 -34.54 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 1.6899999999999999 109.25 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.85 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.5600000000000001 111.011 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.808 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.65 -48.19 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.35999999999999999 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.808 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -62.97 -33.81 76.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.02 109.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.96 -60.27 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 1.8600000000000001 110.249 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 16.7 m -56.87 -44.01 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.41999999999999998 109.253 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 18.9 t70 -51.2 109.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.76000000000000001 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -98.64 -57.34 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.56000000000000005 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -39.33 -35.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 2.1099999999999999 109.311 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 60' ' ' ASP . . . 95.12 96.25 1.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.79000000000000004 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -168.61 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 2.9100000000000001 109.314 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.09 35.44 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.22 111.02 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.3 m -140.42 166.93 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.56000000000000005 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 64' ' ' ASP . 4.7 mt -103.95 166.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.69999999999999996 109.298 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.523 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.5 m-20 -156.49 -175.43 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 3.25 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -65.67 -48.77 63.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.6600000000000001 111.024 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -32.44 5.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.69999999999999996 110.978 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 69.4 mt-10 -69.86 -61.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.8799999999999999 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 1.4 t80 -56.88 -34.1 67.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.54 111.036 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -50.73 -56.51 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.98 109.322 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 2.2 m -60.77 -49.36 77.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.84999999999999998 110.382 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 5.2 ttt -50.56 -59.92 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.2799999999999998 111.042 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 2.6499999999999999 110.971 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.15 -58.5 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 1.1399999999999999 109.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 3.21 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -44.34 -57.92 3.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.3100000000000001 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.551 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.3 OUTLIER -57.82 -39.8 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 4.1500000000000004 111.049 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -60.08 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 3.6699999999999999 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.18 -61.16 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 2.98 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 76' ' ' MET . 6.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.73 110.406 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 5.6900000000000004 109.288 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -10.73 35.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 7.4800000000000004 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.25 -27.54 60.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 5.5999999999999996 110.326 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 162.6 -45.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 2.52 109.26 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.921 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 m -44.43 -25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.6899999999999999 110.381 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 16.3 tt0 -60.16 -57.61 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 2.96 110.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.8 pt-20 -70.44 -28.45 65.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 2.71 110.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 4.1 tp-100 -69.67 -59.74 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.8799999999999999 110.278 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 5' ' ' THR . 1.2 pp -55.72 -19.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 3.3599999999999999 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.67000000000000004 109.305 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.06 -44.22 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.0499999999999998 110.276 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-85 -49.71 -30.16 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.73 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -60.01 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.1699999999999999 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.21 -32.94 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 4.6500000000000004 110.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.809 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -63.6 -43.77 95.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.68999999999999995 109.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -39.81 -44.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.77 111.017 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 t -51.02 -50.94 57.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 1.53 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.5 -59.85 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.81999999999999995 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.809 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.2 m-85 -42.07 -45.66 4.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 2.9399999999999999 110.959 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.6 100.69 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HE2' HG23 ' A' ' 35' ' ' VAL . 39.1 mmtt -78.73 -54.56 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.6499999999999999 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.926 ' HB2' 'CA ' ' A' ' 80' ' ' ' CA' . 2.5 m-20 -48.79 -50.67 33.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 2.3599999999999999 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.61 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.081 . . . . 0.62 111.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -22.47 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.5 109.303 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.58 29.66 2.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.97999999999999998 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' GLY . 7.2 p -154.66 126.89 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 1.1899999999999999 110.402 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.484 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.8 mp -92.76 105.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.69999999999999996 109.264 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.5 m -80.38 152.96 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.66000000000000003 110.393 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.699 HG22 HG12 ' A' ' 52' ' ' ILE . 43.1 p -38.08 -36.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.63 110.404 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mttt -69.92 -52.67 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 4.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' THR . 49.3 mt-10 -48.98 -31.61 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 2.1499999999999999 110.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -71.08 -58.56 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.8100000000000001 109.312 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -20.56 60.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.59999999999999998 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.568 HG23 HH21 ' A' ' 37' ' ' ARG . 27.2 m -67.63 -43.69 79.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.80000000000000004 110.399 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 ' HA ' ' A' ' 19' ' ' PHE . 10.7 t -70.68 -49.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 1.3799999999999999 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.0 mmm -42.26 -62.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.9100000000000001 111.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.568 HH21 HG23 ' A' ' 34' ' ' THR . 8.2 ppt_? -60.65 -27.11 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 5.0099999999999998 110.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.66 -21.03 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.55 110.044 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -89.37 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 2.6400000000000001 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.59 -42.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 2.0299999999999998 111.023 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -48.65 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 4.46 110.291 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.3 m120 -153.89 61.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 2.2200000000000002 109.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.54000000000000004 111.007 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.03 138.59 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.67000000000000004 110.382 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.95 -20.2 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.0600000000000001 110.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -59.94 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.58999999999999997 109.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.17 -43.94 52.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.6000000000000001 110.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.8 mm? -70.53 -26.98 63.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.60999999999999999 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -52.25 -37.82 56.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.6599999999999999 110.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.63 -32.4 69.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.77 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.63 -58.69 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 2.29 111.022 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.802 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.92 -46.17 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.48999999999999999 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.802 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.7 t-20 -64.11 -34.11 77.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.5600000000000001 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -70.74 -60.04 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 2.29 110.338 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 56' ' ' ASP . 16.1 m -55.11 -50.16 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.63 109.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.7 t70 -52.58 106.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.2 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -86.1 -56.55 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.05 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.09 -34.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 2.1699999999999999 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 89.23 86.86 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.53 111.017 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -151.06 -54.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 2.77 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.3 41.72 0.53 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.158 . . . . 1.3300000000000001 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.0 m -147.28 155.11 41.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.56000000000000005 110.378 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -87.04 163.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.69999999999999996 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.564 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.0 t0 -151.64 154.19 35.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 2.8599999999999999 109.322 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -49.01 -47.3 75.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 2.4300000000000002 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -30.5 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.69999999999999996 111.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -72.33 -60.09 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.6299999999999999 110.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.9 -53.69 24.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.6100000000000001 111.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -51.26 -45.62 62.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.8500000000000001 109.286 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.419 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.6 m -64.18 -43.58 94.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0600000000000001 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.477 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 8.8 tpt -53.95 -60.42 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 3.4199999999999999 111.048 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 4.0499999999999998 111.044 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -47.19 -55.27 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.02 109.331 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.98 -32.1 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 5.1900000000000004 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -58.97 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 3.0699999999999998 109.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.655 ' HA ' HG22 ' A' ' 79' ' ' THR . 6.3 ptm -59.71 -22.25 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 3.7999999999999998 111.043 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 76' ' ' MET . 2.9 ttmt -61.5 -59.99 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 3.8999999999999999 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.48 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.6499999999999999 109.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 76' ' ' MET . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 2.8199999999999998 110.387 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . 0.926 'CA ' ' HB2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' N ' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.265 -0.643 . . . . 6.2400000000000002 109.265 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.72 25.81 5.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 8.9100000000000001 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 15.2 mt-30 -125.59 1.07 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 6.6299999999999999 110.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.801 HD12 ' HB3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 87.56 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 2.48 109.294 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.1 m -32.99 -52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.27 110.393 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -62.15 -50.01 73.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 3.6099999999999999 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 mt-10 -61.15 -60.55 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 3.6200000000000001 110.255 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.801 ' HB3' HD12 ' A' ' 4' ' ' LEU . 3.8 pt20 -50.31 -49.09 54.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 6.2300000000000004 110.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 69' ' ' LEU . 14.9 mm -59.27 -32.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 2.71 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.01 -51.37 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.70999999999999996 109.267 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -47.54 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 4.1900000000000004 110.323 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.96 -43.7 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 2.6699999999999999 110.962 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -58.75 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.83 -40.16 76.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.6400000000000001 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -53.13 -53.3 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.81999999999999995 109.314 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.4 t80 -33.03 -50.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.8200000000000001 111.01 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -46.1 -60.37 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.55 109.98 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.88 -55.87 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.79000000000000004 109.324 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.798 ' CE1' ' CE2' ' A' ' 68' ' ' PHE . 16.2 t80 -39.84 -44.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 5.3399999999999999 111.018 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.84 100.97 13.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 1.03 109.263 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 34' ' ' THR . 49.8 mmtt -66.34 -65.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.7 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.64 -60.03 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.5800000000000001 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.68 46.48 2.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.77000000000000002 110.983 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -109.1 -10.51 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 1.3500000000000001 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 26' ' ' THR . . . 106.98 22.39 7.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.91000000000000003 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 25' ' ' GLY . 2.4 p -154.81 134.99 13.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.1399999999999999 110.392 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.8 mp -99.22 96.53 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.65000000000000002 109.362 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.3 m -58.69 156.66 10.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.55000000000000004 110.388 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.523 ' HA ' HG21 ' A' ' 52' ' ' ILE . 37.0 p -51.92 -51.37 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.67000000000000004 110.364 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -64.58 -31.15 72.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 2.3999999999999999 109.301 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.73 -27.86 68.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 1.74 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 1.5 tt -67.21 -53.57 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.8100000000000001 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -50.93 -31.81 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.52000000000000002 111.06 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 21' ' ' LYS . 86.9 m -59.74 -56.89 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.60999999999999999 110.356 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.0 t -52.22 -55.62 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 1.4099999999999999 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -38.0 -43.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.97 111.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 9.1 mtm180 -60.73 -51.02 71.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 3.5 110.235 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.85 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.8100000000000001 109.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -79.46 -49.09 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.6599999999999999 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 139.9 44.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 1.8700000000000001 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.22 175.83 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 3.0499999999999998 110.308 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -157.47 63.22 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.76 109.306 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.79000000000000004 111.003 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.65 36.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -20.0 52.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 2.4399999999999999 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.95 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.78000000000000003 109.313 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.82 -42.31 65.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 2.04 110.318 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 51' ' ' MET . 4.6 mm? -70.72 -26.75 63.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.76000000000000001 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -51.89 -38.36 55.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 2.1000000000000001 110.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -71.84 -32.28 67.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 2.23 109.32 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -70.36 -59.35 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 2.8100000000000001 110.991 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.691 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -46.95 -48.18 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.34000000000000002 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.691 ' N ' HD12 ' A' ' 52' ' ' ILE . 34.4 t-20 -60.72 -35.58 76.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 2.1299999999999999 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.14 -58.31 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 2.3599999999999999 110.301 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 71' ' ' MET . 3.4 m -59.73 -26.42 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.80000000000000004 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 9.5 t70 -78.07 109.24 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.96999999999999997 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -90.91 -55.65 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.62 109.292 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -35.8 -35.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.2200000000000002 109.256 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 89.39 85.46 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 1.24 110.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -54.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 2.77 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.36 40.73 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 1.27 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.426 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.1 m -145.03 162.39 37.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.56999999999999995 110.459 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 10.5 mt -100.02 171.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.68000000000000005 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.4 t0 -168.19 177.95 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 2.7599999999999998 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.512 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -57.6 -50.81 86.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 2.5099999999999998 111.008 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -31.31 6.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.82999999999999996 111.057 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 56.7 mt-10 -70.6 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.1099999999999999 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.798 ' CE2' ' CE1' ' A' ' 19' ' ' PHE . 1.1 t80 -56.54 -41.99 77.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.54 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.76 HD22 ' OE1' ' A' ' 8' ' ' GLN . 2.2 mt -39.12 -51.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 2.7599999999999998 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -66.98 -40.07 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 1.04 110.378 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 55' ' ' VAL . 11.3 ttt -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 2.9500000000000002 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 11.8 mtp -60.38 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.1200000000000001 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.62 -57.89 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.1899999999999999 109.249 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -60.09 -23.91 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 3.3300000000000001 110.336 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -57.55 -57.75 11.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 4.1699999999999999 109.304 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.726 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -60.92 -22.39 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 3.1600000000000001 111.036 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.2 OUTLIER -60.81 -60.14 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 3.1299999999999999 109.304 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -53.64 -60.52 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 3.52 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 2.8999999999999999 110.426 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.255 -0.646 . . . . 5.0999999999999996 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 43.43 44.58 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 6.2400000000000002 109.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -52.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 5.9800000000000004 110.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -175.28 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 2.8700000000000001 109.304 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.8 m -36.98 -35.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.73 110.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 7' ' ' GLU . 18.8 pt-20 -62.16 -55.57 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 4.1600000000000001 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 pt-20 -71.15 -37.61 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.5899999999999999 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -64.01 -54.04 40.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 3.4700000000000002 110.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.79 -35.86 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 3.1000000000000001 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.78 -55.55 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.5 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.03 -46.6 61.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.52 110.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.51 -38.5 44.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.8200000000000001 111.031 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -49.68 -60.69 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 2.71 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.42 72.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 4.0999999999999996 110.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -54.47 -50.58 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.63 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 27.8 t80 -37.46 -53.68 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.1099999999999999 110.971 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PHE . 41.5 t -38.93 -48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.3500000000000001 110.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 34.1 mt -70.39 -60.6 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.59999999999999998 109.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 19.9 m-85 -43.32 -55.93 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.8199999999999998 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 22.0 t0 -71.89 98.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.89000000000000001 109.263 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -75.8 -54.07 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.6899999999999999 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -54.92 -58.56 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 3.1400000000000001 109.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.17 36.05 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.65000000000000002 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 49.3 p-10 -104.92 -12.86 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 1.5800000000000001 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.84 8.5 26.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 0.96999999999999997 110.99 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.549 ' C ' HD12 ' A' ' 27' ' ' ILE . 1.4 p -135.87 146.9 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 1.1100000000000001 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.1 mp -106.58 88.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.59999999999999998 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' HG23 ' A' ' 62' ' ' THR . 23.6 m -52.98 150.14 5.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.51000000000000001 110.398 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.518 ' HA ' HG21 ' A' ' 52' ' ' ILE . 71.8 p -40.16 -46.39 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.42999999999999999 110.422 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.45 -42.11 88.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 2.1699999999999999 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 52.2 mt-10 -55.68 -31.77 62.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 2.1299999999999999 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.967 HD12 HD11 ' A' ' 63' ' ' ILE . 2.6 tt -66.21 -47.91 72.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.6000000000000001 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.97 -19.18 73.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.58999999999999997 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.645 HG21 ' HG3' ' A' ' 21' ' ' LYS . 63.6 m -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.83999999999999997 110.427 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 36' ' ' MET . 1.8 p -72.27 -50.11 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.0800000000000001 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.501 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 30.7 mmt -42.57 -58.84 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 2.3100000000000001 110.98 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 34' ' ' THR . 6.6 ppt_? -63.46 -33.75 76.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.5499999999999998 110.269 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -54.09 -24.93 19.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.72 110.064 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -79.11 -60.25 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 2.1000000000000001 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.56 58.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 1.97 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -129.69 -41.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 3.4100000000000001 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.604 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 61.29 54.97 3.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.8899999999999999 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -176.96 3.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.76000000000000001 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.757 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -112.42 140.77 46.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.82999999999999996 110.358 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.51 -19.66 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.3799999999999999 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 -58.97 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.46000000000000002 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.48 -37.27 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.54 110.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.61 -27.67 64.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.48999999999999999 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.3 tt0 -61.06 -34.56 75.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 1.8400000000000001 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.59 -34.17 67.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 2.1299999999999999 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -54.57 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.6299999999999999 110.99 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.815 HD13 ' O ' ' A' ' 61' ' ' GLY . 2.9 pp -51.53 -32.01 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.48999999999999999 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 t-20 -64.02 -33.8 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 1.4399999999999999 109.345 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -60.53 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 2.0899999999999999 110.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.0 m -51.84 -41.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.47999999999999998 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -46.44 105.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.95999999999999996 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.17 -57.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.97999999999999998 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -49.78 -32.31 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.1299999999999999 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . 101.49 118.38 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 1.0900000000000001 111.032 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 2.9 p-10 163.37 -58.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 2.7400000000000002 109.321 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.815 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 135.23 -24.23 3.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 2.02 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 28' ' ' THR . 72.2 m -78.33 170.22 16.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.72999999999999998 110.347 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.967 HD11 HD12 ' A' ' 32' ' ' LEU . 8.9 mt -103.43 171.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.67000000000000004 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 63' ' ' ILE . 2.6 t70 -152.81 157.98 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 2.4300000000000002 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -49.18 -51.41 57.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 2.3399999999999999 110.996 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.639 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -29.49 8.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.78000000000000003 110.994 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.93 -55.23 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 2.0600000000000001 110.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.8 t80 -56.55 -42.71 78.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.5900000000000001 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -40.75 -40.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 2.1400000000000001 109.334 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.5 m -70.56 -43.77 68.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.63 110.399 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 tpt -46.38 -60.62 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 2.3700000000000001 110.994 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -59.76 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.6800000000000002 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.47 -57.0 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.64000000000000001 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -61.02 -38.06 84.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 4.04 110.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.88 -55.93 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 2.7400000000000002 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.23 -41.86 85.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 3.7999999999999998 111.033 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -59.95 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 2.4399999999999999 109.341 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -59.99 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 3.3399999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 2.3700000000000001 110.414 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' H1 ' ' N ' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.317 -0.623 . . . . 5.0599999999999996 109.317 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.96 14.33 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 5.8200000000000003 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -137.1 -51.21 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 6.8600000000000003 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER 178.69 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 2.46 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -38.29 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 2.98 110.406 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.543 ' N ' ' H1 ' ' A' ' 1' ' ' ALA . 7.2 tt0 -49.13 -61.12 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.9199999999999999 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.06 -33.78 70.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 2.5 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 12' ' ' PHE . 2.2 tp-100 -60.58 -60.47 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 3.0099999999999998 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.87 -19.78 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 2.9300000000000002 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.28 -60.55 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.60999999999999999 109.275 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.32 -44.43 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 2.8300000000000001 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-30 -49.98 -31.94 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.6899999999999999 110.997 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -52.71 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 2.3700000000000001 109.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -30.21 66.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 4.2999999999999998 110.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -65.6 -42.4 91.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.1299999999999999 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CD2' ' CE2' ' A' ' 65' ' ' PHE . 17.2 t80 -50.92 -38.61 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.73 110.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 2.27 110.011 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 6.8 mt -62.56 -61.11 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.97999999999999998 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.988 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.04 -30.91 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.3200000000000003 111.014 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 21.5 t0 -105.42 53.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.48 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -47.46 -45.47 25.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 2.0299999999999998 109.279 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -39.83 -55.75 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 2.0800000000000001 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.37 9.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.72999999999999998 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -28.51 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 1.6799999999999999 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.25 26.91 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.05 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.2 p -154.67 119.13 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.98999999999999999 110.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 20' ' ' ASP . 2.2 mp -82.63 95.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.60999999999999999 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.903 ' HA ' HG23 ' A' ' 62' ' ' THR . 44.9 m -64.7 146.19 55.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.54000000000000004 110.35 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.0 p -41.96 -39.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.65000000000000002 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -44.5 96.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.6499999999999999 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 46.4 mt-10 -65.23 -29.68 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.97 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 2.75 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -71.77 -20.48 78.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.63 110.967 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 53.9 m -70.14 -60.9 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.64000000000000001 110.452 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.988 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.0 p -50.15 -37.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 1.78 109.325 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 14.9 mmt -48.68 -54.76 13.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.8100000000000001 110.952 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 38' ' ' SER . 4.3 ppt_? -54.54 -28.75 47.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 8.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -70.92 -26.85 63.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.4299999999999999 109.962 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.19 -49.28 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.79 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.07 51.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 2.48 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -166.12 135.59 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 4.3099999999999996 110.305 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.98 68.29 75.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 2.8199999999999998 109.3 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 -172.06 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 0.94999999999999996 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -106.54 141.09 38.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.02 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -19.53 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 3.9399999999999999 110.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . -70.02 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.68999999999999995 109.356 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.43 -41.75 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 2.6400000000000001 110.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 32' ' ' LEU . 4.3 mm? -70.45 -28.71 65.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.75 109.285 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 52' ' ' ILE . 35.9 tt0 -46.6 -40.32 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 2.0800000000000001 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -72.39 -32.29 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 2.02 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.5 mmm -70.87 -55.47 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 3.5499999999999998 111.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -52.44 -33.97 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.68999999999999995 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.7 t-20 -67.83 -29.7 68.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 2.2999999999999998 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.26 -59.31 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.3399999999999999 110.281 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' SD ' ' A' ' 71' ' ' MET . 2.2 m -57.06 -39.89 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.88 109.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.42 107.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 1.1100000000000001 109.284 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -105.02 -61.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.2 109.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -40.86 -29.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 2.7000000000000002 109.308 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 102.54 110.01 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.1799999999999999 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER 167.6 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 2.8599999999999999 109.322 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.52 -42.55 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 2.54 111.012 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 28' ' ' THR . 46.7 m -61.31 154.19 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.90000000000000002 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 4.1 mt -90.2 160.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.96999999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -143.37 -171.72 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 3.71 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.41 -48.58 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.1099999999999999 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.654 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.01 -33.7 4.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.75 111.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 57' ' ' ALA . 67.9 mt-10 -70.42 -39.57 74.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.5700000000000001 110.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 1.4 t80 -70.64 -41.97 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 4.5700000000000003 110.984 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -64.01 -45.26 89.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 2.2400000000000002 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -63.15 -36.46 83.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.4099999999999999 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.854 ' SD ' HG12 ' A' ' 55' ' ' VAL . 7.8 tpt -56.88 -60.22 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 3.71 110.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -55.78 -57.07 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 3.4199999999999999 110.989 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 76' ' ' MET . . . -49.75 -50.57 43.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.3400000000000001 109.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.0 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 4.3899999999999997 110.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -62.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 3.71 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.513 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -61.87 -21.4 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 5.0999999999999996 111.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.0 ttmt -62.73 -60.03 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 3.7000000000000002 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -61.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.2599999999999998 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 76' ' ' MET . 14.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 4.2300000000000004 110.374 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.275 -0.639 . . . . 7.8300000000000001 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 1' ' ' ALA . 2.1 m-20 72.42 -54.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 7.9699999999999998 109.261 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.9 mt-30 -58.64 -21.89 55.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 8.6600000000000001 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -57.26 -43.47 83.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 3.2200000000000002 109.281 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.2 t -59.13 -19.72 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.99 110.356 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 17.7 tt0 -59.39 -60.99 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 3.0499999999999998 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -71.01 -28.04 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.9399999999999999 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -70.81 -60.65 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 4.54 110.287 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.07 HG22 HD11 ' A' ' 69' ' ' LEU . 1.8 pp -52.64 -21.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 3.0299999999999998 109.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.4 -61.22 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.85999999999999999 109.259 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -72.17 -43.79 64.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.2200000000000002 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 m-85 -49.46 -36.35 22.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 2.73 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -61.1 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.99 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -34.65 69.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.98 110.311 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.653 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -55.92 -60.31 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.24 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 6.9500000000000002 111.019 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -42.19 -41.48 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 3.1400000000000001 110.027 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.5 mt -70.45 -46.32 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.01 109.319 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD2' HG11 ' A' ' 35' ' ' VAL . 73.7 m-85 -59.46 -37.94 79.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 2.9900000000000002 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.14 100.68 9.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.48 109.338 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -77.48 -58.49 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.5700000000000001 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -44.32 -48.26 9.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 2.2000000000000002 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.39 31.28 19.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.137 . . . . 1.29 111.024 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -102.88 -33.98 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 2.0600000000000001 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.02 -19.43 3.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 1.8 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.562 ' C ' HD12 ' A' ' 27' ' ' ILE . 86.9 m -103.11 145.28 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 2.0899999999999999 110.389 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -109.06 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.67000000000000004 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 30' ' ' LYS . 3.4 m -61.08 149.12 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.60999999999999999 110.437 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.682 ' HA ' HG21 ' A' ' 52' ' ' ILE . 57.9 p -37.2 -36.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.40000000000000002 110.37 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mtpt -68.64 -52.42 31.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 3.6899999999999999 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' THR . 35.2 mt-10 -47.05 -31.55 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.9399999999999999 110.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 2.9 tt -70.99 -52.37 20.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.5800000000000001 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -71.38 -18.74 77.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.108 . . . . 0.79000000000000004 110.989 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 21' ' ' LYS . 87.8 m -68.36 -49.72 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.90000000000000002 110.386 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG11 ' CD2' ' A' ' 19' ' ' PHE . 8.5 p -71.75 -52.14 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.516 ' N ' HG13 ' A' ' 35' ' ' VAL . 41.2 mmm -41.15 -60.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 2.3700000000000001 111.04 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 6.3 ppt_? -60.21 -33.68 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 4.0700000000000003 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 3.6 t -60.56 -23.15 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.1200000000000001 110.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -89.94 41.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.9399999999999999 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.63 -51.56 4.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 2.54 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 74.0 mm-40 -50.25 -178.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 3.7799999999999998 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.481 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t-20 -165.82 60.84 0.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 2.0299999999999998 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.56000000000000005 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -105.66 142.54 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.83999999999999997 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -19.75 38.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.6200000000000001 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.26 -60.28 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.46000000000000002 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.67 -41.3 70.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 2.1899999999999999 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -70.89 -23.98 62.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.45000000000000001 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.5 tt0 -55.49 -36.27 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.3899999999999999 110.247 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.95 -32.03 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.8999999999999999 109.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -59.4 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 2.5299999999999998 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -48.42 -46.69 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.37 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.3 m-20 -58.51 -35.02 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 2.1000000000000001 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.01 -60.0 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.6799999999999999 110.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.9 m -58.66 -28.21 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.56000000000000005 109.252 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 31.9 t70 -64.93 108.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.96999999999999997 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -102.56 -52.72 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.55000000000000004 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -40.49 -30.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 2.0299999999999998 109.345 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.31 95.47 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.992 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.11 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 2.54 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 44.08 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 1.25 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 26' ' ' THR . 22.3 m -142.96 168.74 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.73999999999999999 110.425 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 5.0 mt -107.46 170.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.361 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 63' ' ' ILE . 15.4 t0 -160.63 167.65 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 2.4399999999999999 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.02 -52.11 68.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.99 110.989 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -28.5 9.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.64000000000000001 111.017 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -70.25 -55.54 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.52 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.6399999999999999 111.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.07 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -39.85 -46.98 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.7999999999999998 109.282 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.1 m -64.52 -45.34 87.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.65000000000000002 110.41 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.502 ' SD ' HG12 ' A' ' 55' ' ' VAL . 11.0 tpt -53.45 -60.49 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 2.7000000000000002 111.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -59.23 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.96 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.75 -54.95 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.70999999999999996 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -61.43 -32.17 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 3.2799999999999998 110.262 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -60.11 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.1499999999999999 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 1.9 ptt? -60.23 -20.1 57.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 4.7800000000000002 110.954 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.85 -57.59 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 2.8100000000000001 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.19 -57.31 10.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.1400000000000001 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 3.48 110.376 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.431 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.28 -0.637 . . . . 8.1099999999999994 109.28 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.6 t0 78.29 -50.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 8.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 9.0 pt20 -130.5 -39.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 6.46 110.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 8' ' ' GLN . 1.2 tp -55.16 -31.57 61.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 2.8900000000000001 109.314 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -48.9 -32.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.77 110.377 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.3 -43.57 85.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 2.4900000000000002 110.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -44.28 71.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.9900000000000002 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 4' ' ' LEU . 37.7 mm-40 -66.93 -57.45 6.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 3.4500000000000002 110.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 5' ' ' THR . 7.3 mm -41.54 -45.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 2.98 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -53.5 28.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.45000000000000001 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.42 -46.55 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 2.5299999999999998 110.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -22.97 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.8999999999999999 110.986 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.25 -60.13 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.2799999999999998 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.02 -33.37 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 3.2400000000000002 110.338 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.56 93.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.75 109.268 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 41.9 t80 -38.62 -44.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.72 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -51.17 -60.06 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 1.46 109.983 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.6 mt -52.19 -52.63 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.89000000000000001 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.654 ' CD1' HG21 ' A' ' 35' ' ' VAL . 37.5 m-85 -57.0 -29.54 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.98 111.0 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 2.3 t0 -75.96 91.32 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 2.3100000000000001 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.679 ' HE2' HG23 ' A' ' 35' ' ' VAL . 51.8 mmtt -91.12 19.34 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 2.7200000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' HB2' 'CA ' ' A' ' 80' ' ' ' CA' . 37.4 m-20 -146.66 -51.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 2.3399999999999999 109.309 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 41.48 6.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 0.69999999999999996 111.028 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -22.22 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 1.6799999999999999 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.4 8.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.84999999999999998 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -144.93 130.57 18.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 1.1100000000000001 110.333 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' OE2' ' A' ' 31' ' ' GLU . 18.1 mm -87.91 83.86 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.2 m -47.39 149.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.64000000000000001 110.428 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.65 ' HA ' HG21 ' A' ' 52' ' ' ILE . 48.5 p -50.96 -56.09 14.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.85999999999999999 110.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -26.09 68.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 2.2999999999999998 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 19.5 tt0 -70.31 -33.69 71.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 2.7799999999999998 110.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD13 HD12 ' A' ' 63' ' ' ILE . 1.6 tp -67.8 -38.3 83.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 2.2799999999999998 109.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -25.84 72.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.53000000000000003 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 21' ' ' LYS . 83.6 m -61.28 -55.22 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.56000000000000005 110.38 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.679 HG23 ' HE2' ' A' ' 21' ' ' LYS . 2.2 t -50.77 -53.52 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 1.1399999999999999 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.87 -42.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.96 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -50.1 -50.17 49.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 3.8500000000000001 110.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -22.51 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.8999999999999999 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -91.89 27.36 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 2.9300000000000002 109.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.33 60.95 1.88 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.149 . . . . 1.76 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.4 -43.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 3.52 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 48.67 60.79 15.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 109.318 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.95 -174.57 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.79000000000000004 110.985 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -112.17 138.57 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.64000000000000001 110.451 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.28 -19.4 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.3900000000000001 110.299 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.39 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.62 109.332 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.75 -39.13 84.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 2.1200000000000001 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.659 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.43 -22.93 62.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.59999999999999998 109.255 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.71 -37.77 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 2.0299999999999998 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -71.42 -33.38 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.99 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.6 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 3.5899999999999999 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.906 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -47.68 -48.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.46000000000000002 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.906 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.4 t30 -66.34 -31.07 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.9399999999999999 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -59.48 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.96 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 14.8 m -59.81 -40.73 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.46000000000000002 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -57.43 109.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.76000000000000001 109.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -99.67 -52.33 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.68000000000000005 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -29.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 2.1899999999999999 109.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 89.73 114.86 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.095 . . . . 0.76000000000000001 111.032 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 1.9 p30 172.03 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 2.7599999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 116.29 46.62 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 1.3100000000000001 111.026 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 32.2 m -152.92 158.09 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.60999999999999999 110.372 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.824 HD12 HD13 ' A' ' 32' ' ' LEU . 11.8 mt -97.22 169.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.59999999999999998 109.291 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.6 t0 -156.9 175.44 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 2.6299999999999999 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -57.86 -52.29 75.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 2.0600000000000001 111.016 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.97 -31.99 5.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.57999999999999996 111.042 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -56.44 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.53 110.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.36 -41.23 88.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 1.6000000000000001 110.972 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -51.96 25.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.79 109.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -50.49 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.65000000000000002 110.392 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.474 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 tmt? -47.64 -60.45 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 2.3199999999999998 111.017 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -59.75 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 2.7200000000000002 110.999 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.09 -54.57 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.91000000000000003 109.276 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -41.32 96.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 4.5899999999999999 110.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -42.15 -59.84 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 2.71 109.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.1 65.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.8700000000000001 111.003 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -54.88 -57.6 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 3.02 109.319 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.34 -60.38 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.6000000000000001 109.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 75' ' ' LYS . 43.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 3.1499999999999999 110.427 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . 0.414 'CA ' ' HB2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.281 -0.637 . . . . 4.96 109.281 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.25 13.08 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 6.96 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -141.0 -78.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 7.3200000000000003 110.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 8' ' ' GLN . 2.8 pp -166.36 29.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 2.3300000000000001 109.276 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.7 m -71.5 -38.02 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.8400000000000001 110.397 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.19 -60.17 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 2.8700000000000001 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 pt-20 -64.63 -32.85 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.6099999999999999 110.319 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.8 ' HB2' HD12 ' A' ' 4' ' ' LEU . 3.2 tp-100 -66.51 -57.71 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 2.9100000000000001 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.43 -34.92 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 2.5099999999999998 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -47.83 -58.59 4.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.59999999999999998 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.38 -47.04 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.3100000000000001 110.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.35 -45.96 55.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 2.0699999999999998 111.022 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.17 -60.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 2.6400000000000001 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -71.21 -51.12 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.9500000000000002 110.332 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -42.89 -46.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.80000000000000004 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 62.1 t80 -35.29 -53.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.8100000000000001 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' PHE . 3.2 t -38.16 -48.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.6699999999999999 110.04 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.523 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 96.1 mt -70.7 -60.5 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.57999999999999996 109.307 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' HA ' HG21 ' A' ' 35' ' ' VAL . 11.7 m-85 -41.94 -45.24 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 3.0600000000000001 110.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -85.2 96.41 9.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 1.21 109.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 35' ' ' VAL . 69.8 mmtt -75.89 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.9299999999999999 109.331 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.7 p-10 -55.25 -44.7 75.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 4.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 82.73 36.31 16.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.75 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.69 -17.96 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 2.3100000000000001 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.08 -4.08 14.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.95999999999999996 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 p -133.84 143.75 48.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 1.3200000000000001 110.414 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.5 mp -91.74 87.06 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.76000000000000001 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 1.8 m -52.14 149.74 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.46000000000000002 110.444 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 61.2 p -44.64 -51.69 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.48999999999999999 110.408 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.56 -35.77 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 2.23 109.235 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 28' ' ' THR . 62.2 mt-10 -65.78 -29.91 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.9399999999999999 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.91 HD12 HD11 ' A' ' 63' ' ' ILE . 6.0 tt -63.0 -47.43 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.8200000000000001 109.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.31 -22.59 67.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.68000000000000005 111.042 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 24.3 m -61.76 -46.03 91.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.93000000000000005 110.369 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 19' ' ' PHE . 23.1 t -70.9 -54.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.3300000000000001 109.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.1 mmt -39.67 -60.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.76 111.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 38' ' ' SER . 1.3 ppt_? -61.84 -35.02 77.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 4.7800000000000002 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 2.4 t -46.74 -25.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.3500000000000001 110.026 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.02 -60.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.04 109.361 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.47 59.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 1.8300000000000001 111.073 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -130.28 -49.17 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 3.79 110.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 63.82 58.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.8200000000000001 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 -177.66 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.57999999999999996 110.986 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.611 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.5 137.83 41.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.402 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.72 -22.01 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.3999999999999999 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.34 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.40999999999999998 109.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.84 -42.83 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.48 110.294 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.35 -24.31 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.64000000000000001 109.323 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 34.1 tt0 -57.22 -36.3 70.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 2.2400000000000002 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -71.81 -32.79 67.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 2.02 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.0 mmm -70.29 -56.01 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 2.5 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -50.64 -37.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.34000000000000002 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -66.23 -32.95 74.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 2.1800000000000002 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.97 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 52' ' ' ILE . 6.3 m -55.77 -44.98 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.46000000000000002 109.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 33.1 t70 -55.54 108.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.81000000000000005 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.66 -44.43 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.77000000000000002 109.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.3 p30 -46.76 -28.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 2.04 109.348 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' OD1' ' A' ' 60' ' ' ASP . . . 93.66 108.77 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.75 110.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 170.24 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 2.27 109.314 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.62 41.02 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 1.21 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.7 m -139.09 165.23 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.62 110.412 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.91 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -98.7 164.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.68000000000000005 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.5 t0 -151.41 158.79 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 2.3900000000000001 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -51.17 -50.14 77.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.2200000000000002 111.013 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -28.14 9.36 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.66000000000000003 110.998 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.97 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 1.5900000000000001 110.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 1.52 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -49.77 -44.26 48.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 1.79 109.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -66.96 -42.67 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.76000000000000001 110.383 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.62 -60.35 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 2.3100000000000001 111.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -60.24 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 2.9100000000000001 110.975 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -42.94 -57.68 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.67000000000000004 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -61.07 -35.11 76.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.1399999999999997 110.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.45 -59.16 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 2.48 109.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.626 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 ptm -60.0 -31.62 70.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 3.3900000000000001 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' MET . 8.4 tttm -60.8 -59.94 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 2.6099999999999999 109.319 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.6 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 3.4199999999999999 109.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 76' ' ' MET . 8.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.0299999999999998 110.441 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.283 -0.636 . . . . 7.9900000000000002 109.283 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 3' ' ' GLN . 8.8 t70 -41.06 -39.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 6.1200000000000001 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 2' ' ' ASP . 25.1 mt-30 -164.06 -56.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 6.2199999999999998 110.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 176.32 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 2.1499999999999999 109.314 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.3 m -56.85 -24.04 48.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.76 110.365 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 tt0 -66.19 -57.93 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 2.5600000000000001 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.26 -27.16 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.1000000000000001 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.73 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 5' ' ' THR . 2.3 pp -51.41 -33.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 3.3700000000000001 109.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.85 -59.82 3.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.55000000000000004 109.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.81 -46.16 63.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 2.3999999999999999 110.276 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.86 -36.58 38.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.8 110.96 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -53.41 -59.3 4.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.1400000000000001 109.288 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.32 -36.91 77.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 3.3900000000000001 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.44 -46.63 88.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.65000000000000002 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.4 t80 -36.71 -46.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 1.7 110.989 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -46.48 -46.88 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.9299999999999999 110.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 79.4 mt -69.19 -60.84 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.67000000000000004 109.322 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.744 ' HD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -43.59 -43.83 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.8300000000000001 110.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.49 97.88 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.02 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 66.6 mmtt -77.33 -54.74 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.8200000000000001 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.6 p30 -56.65 -46.1 81.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 3.9100000000000001 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 80.4 40.05 13.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.81000000000000005 110.948 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -106.85 -14.79 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 1.3799999999999999 109.34 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 2.88 21.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.84999999999999998 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 62' ' ' THR . 1.9 p -133.54 136.94 45.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 1.1499999999999999 110.412 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.9 mp -94.38 84.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.58999999999999997 109.268 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.425 ' HA ' HG23 ' A' ' 62' ' ' THR . 53.0 m -51.21 152.26 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.62 110.434 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' HG21 ' A' ' 52' ' ' ILE . 44.2 p -50.36 -49.82 53.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.45000000000000001 110.366 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.48 71.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 2.4900000000000002 109.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 53.2 mt-10 -70.4 -31.61 68.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 2.1600000000000001 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 48' ' ' LEU . 19.1 tp -61.35 -47.86 83.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 2.4100000000000001 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -72.48 -18.96 78.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.45000000000000001 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.47 HG23 HH21 ' A' ' 37' ' ' ARG . 54.6 m -69.59 -49.36 54.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.57999999999999996 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.744 HG21 ' HD1' ' A' ' 19' ' ' PHE . 7.2 p -68.12 -44.7 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.9199999999999999 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 7.0 mmt -53.22 -60.45 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 2.0299999999999998 110.981 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 HH21 HG23 ' A' ' 34' ' ' THR . 7.8 ppt_? -62.19 -31.16 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.5 110.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -56.92 -32.3 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.5099999999999998 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.03 -35.03 79.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.9399999999999999 109.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.74 -26.72 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 1.74 110.995 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 2.3 mm-40 -69.09 -173.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 2.8799999999999999 110.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -168.18 58.06 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.71 109.258 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -75.04 -178.54 4.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.56000000000000005 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -103.17 148.86 25.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.57999999999999996 110.385 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -67.33 -19.91 65.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 3.3700000000000001 110.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.26 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.38 109.309 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.91 -43.86 66.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.74 110.294 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD12 HD21 ' A' ' 32' ' ' LEU . 4.0 mm? -71.18 -20.19 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.56000000000000005 109.308 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 52' ' ' ILE . 40.3 tt0 -58.82 -36.45 74.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.3400000000000001 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.28 -28.55 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.9099999999999999 109.272 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.02 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 2.3799999999999999 111.022 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.749 HG22 HD11 ' A' ' 63' ' ' ILE . 2.5 pp -48.92 -43.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.65000000000000002 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -66.97 -32.16 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.53 109.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -58.92 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 2.0099999999999998 110.316 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.7 m -58.02 -45.71 88.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.54000000000000004 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 29.3 t70 -47.36 100.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.71999999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.57 -57.67 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.78000000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.83 -32.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 2.5299999999999998 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 105.3 116.05 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 1.72 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 163.03 -75.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 3.4199999999999999 109.292 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 60' ' ' ASP . . . 151.12 -43.53 0.7 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 2.3100000000000001 111.062 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.809 HG21 ' HB ' ' A' ' 26' ' ' THR . 8.4 m -58.83 172.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 1.1200000000000001 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.749 HD11 HG22 ' A' ' 52' ' ' ILE . 3.2 mt -114.85 109.38 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.8300000000000001 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.598 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 11.8 m-20 -83.39 -172.11 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 3.04 109.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.3 t80 -72.52 -45.52 9.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 3.3100000000000001 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.4 Cg_endo -74.93 -24.43 12.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.84999999999999998 111.038 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.0 -54.81 9.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 1.8300000000000001 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.461 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -61.91 -41.86 98.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.5600000000000001 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -52.29 9.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 2.8199999999999998 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -63.17 -50.87 68.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.82999999999999996 110.33 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -43.28 -60.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 2.3300000000000001 110.992 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -56.42 -59.32 5.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.5800000000000001 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.7 -57.91 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.79000000000000004 109.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -60.72 -41.01 94.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.9500000000000002 110.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -41.22 -53.38 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 2.1299999999999999 109.294 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.517 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.53 -42.79 88.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 4.4000000000000004 111.006 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -59.8 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 3.0800000000000001 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -61.36 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.6099999999999999 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 2.5099999999999998 110.403 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 5.3200000000000003 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 162.39 -19.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 8.6199999999999992 109.287 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.7 mt-30 78.79 44.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 7.2800000000000002 110.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.804 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER 175.23 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 2.0899999999999999 109.276 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.2 t -70.81 -38.33 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 2.1800000000000002 110.435 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -58.01 -51.62 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 2.8799999999999999 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.0 pt-20 -67.08 -33.79 76.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.1000000000000001 110.31 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 11.8 mm100 -70.27 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 2.8799999999999999 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.04 -19.6 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 3.0299999999999998 109.308 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.62 -60.79 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.73999999999999999 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.46 -44.57 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.4500000000000002 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m-85 -53.2 -22.61 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.2000000000000002 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -60.88 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.8799999999999999 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.11 -36.22 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 3.1800000000000002 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.4 -40.66 87.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.84999999999999998 109.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 44.8 t80 -39.69 -51.24 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.77 111.02 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -44.4 3.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 1.52 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.51 -58.26 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.63 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.644 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.2 m-30 -45.95 -39.36 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 3.0699999999999998 111.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -92.35 97.66 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.89000000000000001 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.06 -59.76 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 1.6000000000000001 109.283 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -45.55 -57.87 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 2.29 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 34.76 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.75 110.974 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 1.8 p30 -110.69 -41.74 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.737 . . . . 1.54 109.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' THR . . . 137.59 40.75 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 1.04 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.1 p -162.77 137.32 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 1.0800000000000001 110.403 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.6 mp -97.75 86.1 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.85999999999999999 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.7 m -47.69 141.86 5.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.82999999999999996 110.371 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.688 ' HA ' HG21 ' A' ' 52' ' ' ILE . 64.5 p -41.8 -51.42 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.55000000000000004 110.399 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.39 84.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.4199999999999999 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' THR . 39.3 mt-10 -65.2 -28.06 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 2.3799999999999999 110.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -65.92 -39.62 90.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 2.23 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.61 -24.7 75.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.51000000000000001 110.98 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -63.23 -51.08 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.66000000000000003 110.402 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 19' ' ' PHE . 61.5 t -54.55 -49.93 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.3100000000000001 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.7 mmt -37.75 -55.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.6000000000000001 111.019 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.504 ' HD3' ' ND2' ' A' ' 42' ' ' ASN . 8.3 mtm180 -50.4 -46.69 56.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 3.5600000000000001 110.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -25.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.99 109.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -87.9 -47.39 8.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.8400000000000001 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.33 43.95 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 2.1000000000000001 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -148.9 145.74 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 3.5600000000000001 110.292 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.504 ' ND2' ' HD3' ' A' ' 37' ' ' ARG . 4.9 m120 -125.99 71.99 69.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 2.2400000000000002 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.95 174.22 13.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.63 111.036 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.556 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -97.94 145.39 26.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.81000000000000005 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -19.97 65.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.8100000000000001 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.45 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.63 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.07 -40.73 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.98 110.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -71.0 -28.75 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.5 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 44.2 tt0 -49.31 -38.55 28.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 1.72 110.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -71.18 -30.18 66.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.0600000000000001 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.6 mmt -70.44 -59.86 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.1699999999999999 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.46 -49.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.56000000000000005 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.967 ' N ' HD12 ' A' ' 52' ' ' ILE . 24.0 t-20 -65.36 -32.57 74.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 1.5 109.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.51 -60.02 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.76 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 22.8 m -58.04 -44.79 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.40000000000000002 109.31 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.5 t0 -53.22 110.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.5700000000000001 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.09 -55.11 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.55000000000000004 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -43.59 -34.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.2599999999999998 109.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 98.17 107.75 2.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.90000000000000002 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -170.32 -56.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 2.7000000000000002 109.304 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 120.26 30.84 1.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 1.29 110.974 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -147.77 161.56 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.91000000000000003 110.405 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 52' ' ' ILE . 3.8 mt -90.65 159.7 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.81000000000000005 109.263 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.8 m-20 -140.91 -173.89 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.6099999999999999 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.91 -49.11 10.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.04 110.986 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.01 -29.45 8.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.57999999999999996 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -70.29 -60.14 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 1.8999999999999999 110.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.1 t80 -56.25 -36.69 68.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.6000000000000001 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.75 -50.28 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 1.7 109.292 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -70.4 -48.61 55.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.05 110.366 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.445 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -43.13 -59.8 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 2.8999999999999999 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -56.43 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 2.8199999999999998 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.35 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.98999999999999999 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -60.88 -38.68 86.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 3.6400000000000001 110.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -58.49 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 3.3799999999999999 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -43.76 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 4.7699999999999996 111.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -52.33 66.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 2.4399999999999999 109.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -58.73 7.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 2.5600000000000001 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 3.4900000000000002 110.394 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.272 -0.64 . . . . 2.4 109.272 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -71.67 -29.85 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.73 110.376 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.81 -60.82 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 3.45 110.346 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.58 ' OE2' HD13 ' A' ' 4' ' ' LEU . 3.5 pt-20 -56.19 -37.01 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 2.59 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.32 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 3.03 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -45.08 -41.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 2.85 109.337 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.18 -58.85 4.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.5 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.43 -45.15 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 2.6 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -28.14 18.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.85 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -66.23 -55.25 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.8 109.286 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.21 -35.03 71.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 3.29 110.304 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -66.52 -46.64 75.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.7 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CG ' ' CE2' ' A' ' 65' ' ' PHE . 14.3 t80 -37.6 -39.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.94 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -51.29 -48.64 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.15 110.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 14.6 mt -70.13 -59.97 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.55 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 35' ' ' VAL . 19.2 m-85 -42.17 -35.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 2.82 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 2.7 t0 -89.04 89.98 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.1 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HE3' ' HB ' ' A' ' 34' ' ' THR . 55.2 mmtt -73.7 -58.92 2.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 1.64 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 20.6 p-10 -55.39 -48.98 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 3.98 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 89.73 42.46 5.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.155 . . . . 0.84 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' OD1' ' OD2' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -115.85 11.65 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 2.28 109.321 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.75 -12.95 55.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 1.28 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.585 HG23 ' OD1' ' A' ' 64' ' ' ASP . 19.5 m -111.48 142.27 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 2.02 110.384 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.8 mp -103.61 103.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.7 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.1 m -76.43 152.13 36.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.65 110.411 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.649 HG22 HG12 ' A' ' 52' ' ' ILE . 62.1 p -37.69 -40.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.6 110.412 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -64.99 -51.63 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 3.6 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 34.4 mt-10 -49.38 -34.84 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 2.27 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.946 HD12 HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -70.95 -56.56 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 1.68 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.35 -21.04 59.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.46 111.001 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' HE3' ' A' ' 21' ' ' LYS . 91.9 m -67.88 -53.68 24.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.65 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 19' ' ' PHE . 40.1 t -57.11 -53.46 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.41 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.76 -43.92 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 2.31 110.977 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mtt180 -58.76 -44.86 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 4.63 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -53.4 -19.83 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.08 109.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.5 mt -89.22 16.37 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 2.11 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 88.8 -41.93 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 2.26 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -49.95 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 4.17 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -154.39 64.83 4.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.78 109.3 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.95 169.07 23.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.66 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -112.26 143.24 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.03 110.444 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -20.73 9.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 2.63 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.74 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.55 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -38.62 73.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 2.09 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.55 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -70.84 -24.72 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.69 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.54 -35.65 72.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.6 110.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.88 -33.85 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.77 109.323 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.3 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 3.44 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 63' ' ' ILE . 2.8 pp -47.97 -46.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.44 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.772 ' N ' HD12 ' A' ' 52' ' ' ILE . 54.5 t30 -62.34 -34.13 76.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 2.15 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -59.95 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.19 110.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG3' ' A' ' 71' ' ' MET . 20.6 m -58.31 -48.62 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.53 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' N ' HG23 ' A' ' 55' ' ' VAL . 25.5 t70 -43.88 108.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.78 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.44 -57.18 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.71 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -39.5 -35.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 2.08 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.58 109.63 2.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.91 111.056 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 3.0 p30 176.88 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 2.81 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 119.36 45.51 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 1.29 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -152.88 166.35 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.84 110.437 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.946 HD11 HD12 ' A' ' 32' ' ' LEU . 1.2 mt -106.54 178.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.79 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.1 m-20 -166.88 176.77 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 3.14 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.84 -50.77 86.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 2.24 110.986 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.786 . . . . 0.66 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.94 -60.52 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.53 110.265 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.5 t80 -51.82 -45.58 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.56 110.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -43.58 -45.55 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.7 109.302 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -64.0 -46.73 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.68 110.431 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -51.1 -59.85 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.69 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.0 -55.08 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.5 111.02 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.85 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.66 109.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -20.62 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.79 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.63 -57.58 11.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 2.48 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -61.35 -26.99 68.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 5.52 110.983 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.1 tppp? -60.61 -55.53 32.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 2.6 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -59.99 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.86 109.359 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 2.96 110.391 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.717 HD12 ' CD ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.301 -0.629 . . . . 2.84 109.301 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 9' ' ' ILE . 3.4 m -37.47 -32.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.66 110.414 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.4 tt0 -62.52 -60.36 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 2.38 110.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -70.71 -28.31 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 2.41 110.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.717 ' CD ' HD12 ' A' ' 4' ' ' LEU . 1.3 mp0 -70.11 -59.53 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 4.08 110.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 5' ' ' THR . 2.0 pp -55.35 -19.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 3.18 109.265 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -69.16 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.54 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.5 -44.86 63.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 2.66 110.257 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 m-85 -50.2 -32.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 2.06 110.974 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -57.61 -59.38 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 2.12 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -31.53 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 3.99 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -65.63 -43.28 90.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.63 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 27' ' ' ILE . 28.5 t80 -39.06 -42.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 1.77 111.041 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -49.59 -53.87 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.59 109.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -67.89 -59.91 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.67 109.26 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.9 m-85 -42.09 -45.84 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.87 110.996 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 8.7 t0 -86.04 100.06 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.08 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 55.4 mmtt -73.84 -57.84 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 1.65 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -51.0 -65.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 2.56 109.3 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.59 41.99 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.76 110.995 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -111.2 -21.4 11.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 1.48 109.328 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 26' ' ' THR . . . 116.79 32.49 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.95 111.058 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 25' ' ' GLY . 5.2 p -158.94 128.25 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 1.06 110.434 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.0 mp -88.8 79.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.7 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m -52.29 154.34 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.66 110.431 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 45.0 p -45.08 -43.76 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.45 110.4 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -63.0 -41.95 99.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.4 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 20' ' ' ASP . 53.4 mt-10 -57.51 -41.72 81.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 2.03 110.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -63.53 -44.18 94.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.65 109.347 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.18 -23.72 77.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.65 110.982 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.2 m -69.91 -60.19 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.62 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 36' ' ' MET . 11.8 p -50.7 -51.93 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 2.01 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.503 ' N ' HG13 ' A' ' 35' ' ' VAL . 8.5 mmm -41.64 -45.41 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 2.6 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 1.2 mtm105 -61.36 -46.36 90.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 3.31 110.349 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 t -57.71 -19.15 25.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.42 110.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.93 23.57 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 1.92 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.26 -46.23 3.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.525 1.141 . . . . 1.99 111.028 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 53.2 mm-40 -52.59 -174.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 3.31 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t-20 -163.65 60.6 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.81 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.99 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.83 111.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.713 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.0 p -102.0 152.57 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.79 110.383 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.1 -19.33 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 3.02 110.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -60.22 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.51 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.19 -38.13 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 2.22 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.76 -29.08 65.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.52 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -53.52 -36.97 62.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.96 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -35.09 71.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 2.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -53.82 12.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 2.49 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.5 pp -52.86 -41.42 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.37 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 52' ' ' ILE . 37.4 t30 -67.35 -30.94 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.7 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.67 -57.92 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 2.73 110.241 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 71' ' ' MET . 6.2 m -60.83 -37.26 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.45 109.355 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.12 109.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.84 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 -54.24 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.55 109.257 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 20.3 p-10 -45.8 -31.71 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 2.68 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 107.36 1.45 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.14 . . . . 0.73 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.9 p30 176.26 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.87 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.29 42.42 0.7 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 1.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 21.4 m -140.39 167.06 23.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.77 110.396 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 2.5 mt -107.48 165.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.65 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.7 t0 -158.04 177.49 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 2.77 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.07 -50.58 83.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 2.51 111.023 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.07 -28.68 8.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.79 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.4 -59.8 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.53 110.309 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.62 -38.63 81.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.68 110.961 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -42.3 -52.93 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.92 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -65.88 -50.34 64.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.84 110.426 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.74 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -38.58 -60.91 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.138 . . . . 2.38 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . 7.2 tpt -60.54 -60.18 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 2.83 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.08 -58.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.67 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.49 -33.66 72.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 4.21 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -46.79 -59.15 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 2.67 109.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -53.3 -42.62 66.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 3.86 111.001 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -60.08 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 2.99 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.94 -61.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 2.84 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 76' ' ' MET . 12.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 2.3 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.944 HD22 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.281 -0.637 . . . . 2.78 109.281 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.944 ' N ' HD22 ' A' ' 4' ' ' LEU . 12.6 p -37.58 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 2.58 110.389 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 3.2 tm-20 -62.59 -57.57 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.11 110.317 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.3 pt-20 -69.79 -36.98 76.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 2.14 110.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.7 mm-40 -64.44 -54.16 36.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 3.06 110.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 5' ' ' THR . 6.6 mm -49.89 -39.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 2.5 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.33 -56.95 11.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.63 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.97 -47.33 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.92 110.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -47.35 -39.6 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 2.28 111.017 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -58.05 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.48 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -38.2 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 3.58 110.354 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -56.07 -48.7 75.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.67 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.758 ' CD1' ' CE2' ' A' ' 65' ' ' PHE . 60.2 t80 -37.3 -52.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.86 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -56.18 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.38 109.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.02 -52.69 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.74 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.775 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.7 t80 -42.72 -41.04 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 5.6 110.989 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.75 102.97 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 1.09 109.278 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HE2' HG22 ' A' ' 35' ' ' VAL . 65.4 mmtt -75.58 -43.66 47.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.63 109.264 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.18 -48.16 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 2.52 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.35 44.17 5.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.78 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.4 p30 -120.45 29.6 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 2.01 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.92 44.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.99 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -137.45 123.81 20.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.805 . . . . 1.26 110.388 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.4 mp -99.68 94.02 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.98 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -57.63 151.79 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.83 110.433 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.597 ' HA ' HG21 ' A' ' 52' ' ' ILE . 67.5 p -43.43 -52.2 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.58 110.435 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.24 -39.09 85.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 2.47 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 2.8 mt-10 -56.07 -31.84 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 1.67 110.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.048 HD12 HD11 ' A' ' 63' ' ' ILE . 3.7 tt -66.33 -51.72 54.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.61 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.66 -26.48 60.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.62 111.009 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -63.18 -44.82 94.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.73 110.394 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 19' ' ' PHE . 31.3 t -68.89 -50.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 1.47 109.26 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mmt -49.61 -60.25 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 2.17 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -62.61 -35.27 79.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 3.48 110.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -53.83 -21.58 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 2.57 110.001 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.89 -70.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.45 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.64 34.8 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 1.74 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -133.93 -173.19 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 2.96 110.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -166.39 61.67 0.68 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.88 109.338 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.51 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.678 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -100.03 151.03 21.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.56 110.398 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.7 -21.5 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.91 110.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.32 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.47 109.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.18 -40.88 62.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.63 110.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 44' ' ' THR . 4.3 mm? -70.45 -29.84 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.52 109.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.39 -38.05 65.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 2.25 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.68 -33.29 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.88 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 mtt -70.53 -54.97 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 3.48 111.031 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -51.99 -33.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.55 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.829 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.3 t30 -61.46 -33.49 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 1.93 109.346 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.97 -58.5 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.13 110.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.511 HG21 HG23 ' A' ' 63' ' ' ILE . 2.1 m -57.8 -39.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.62 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.74 109.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.02 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.02 -57.35 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.05 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -43.01 -34.76 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.83 109.294 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.71 105.13 2.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.89 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 168.3 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 2.73 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.58 -50.57 0.58 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.491 1.12 . . . . 2.73 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 27' ' ' ILE . 99.4 m -51.76 162.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 1.04 110.41 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.048 HD11 HD12 ' A' ' 32' ' ' LEU . 1.7 mt -102.58 178.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.85 109.276 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 63' ' ' ILE . 14.9 t0 -152.63 177.77 10.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 2.85 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.758 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -61.93 -52.98 64.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 2.26 110.953 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.956 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.74 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE1' ' OD2' ' A' ' 58' ' ' ASP . 38.4 mt-10 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.85 110.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 1.2 t80 -64.76 -45.21 87.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 2.01 110.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.96 -33.16 36.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 1.85 109.3 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -71.59 -33.22 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.73 110.4 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -59.75 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.77 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.493 ' HE3' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.53 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 6.98 110.987 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' N ' ' SD ' ' A' ' 72' ' ' MET . . . -60.58 -55.85 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.1 109.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 4.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -59.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 3.17 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.628 ' HA ' HG22 ' A' ' 79' ' ' THR . 25.6 mtt -53.57 -42.42 67.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 3.14 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 2.55 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -59.96 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 3.84 109.353 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.628 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 2.85 110.395 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.334 -0.617 . . . . 2.81 109.334 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 m -71.68 -58.87 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 2.18 110.39 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.3 -52.43 63.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 3.15 110.328 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 mt-10 -51.72 -49.55 62.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 3.86 110.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.455 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.3 mm-40 -66.24 -57.12 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 2.88 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 16.7 mm -39.42 -39.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 2.5 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -58.42 -57.29 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.63 109.268 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.36 -48.16 68.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 2.79 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 72' ' ' MET . 1.2 m-85 -53.99 -45.68 71.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.93 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -60.43 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 2.89 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.63 -50.72 56.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 3.26 110.273 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.648 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -46.01 -46.52 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.61 109.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.2 t80 -36.28 -45.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.93 111.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.67 -53.37 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.58 110.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' ALA . 77.2 mt -70.82 -56.27 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.65 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.0 m-85 -45.37 -42.55 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 2.88 111.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -89.64 99.68 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.98 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.643 ' HE2' HG22 ' A' ' 35' ' ' VAL . 66.3 mmtt -71.73 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.68 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.35 -53.26 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 2.37 109.32 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.91 33.74 6.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.81 110.946 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -108.45 9.48 27.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.84 109.315 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.84 50.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.67 110.99 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' CG2' ' A' ' 62' ' ' THR . 4.4 m -102.62 136.51 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 1.75 110.388 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.8 mp -103.14 94.31 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.67 109.352 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -62.95 157.21 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.53 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 29' ' ' THR . 44.0 p -53.23 -50.49 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.55 110.402 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.78 -36.96 72.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 2.42 109.289 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.52 -32.72 73.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.66 110.329 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.942 HD12 HD11 ' A' ' 63' ' ' ILE . 1.9 tt -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.64 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.58 -19.34 70.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.5 110.969 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -69.56 -42.41 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.62 110.391 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.826 HG21 ' HA ' ' A' ' 19' ' ' PHE . 22.0 t -70.79 -51.29 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.4 109.37 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -43.54 -60.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 2.03 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -61.29 -39.36 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 4.51 110.29 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.38 -26.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.66 110.005 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.68 -44.01 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.82 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 164.59 -32.16 0.25 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.105 . . . . 1.66 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 mt-30 -61.06 -172.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 2.99 110.261 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 t-20 -167.51 60.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.82 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.07 173.62 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.62 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.1 p -100.97 150.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.63 110.385 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.38 -19.93 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 2.68 110.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.34 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.47 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -51.56 -42.84 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 3.23 110.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.51 -23.79 62.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.6 109.338 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.4 -36.33 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 2.43 110.3 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -71.13 -33.83 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.81 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -70.56 -56.74 5.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 2.53 111.039 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.535 HG22 HD11 ' A' ' 63' ' ' ILE . 2.6 pp -51.51 -39.51 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.5 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' HD12 ' A' ' 52' ' ' ILE . 18.3 t30 -64.93 -32.49 74.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.54 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -70.59 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 2.99 110.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 71' ' ' MET . 12.9 m -58.83 -44.04 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.68 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.79 107.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.86 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -105.74 -46.87 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.8 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -41.76 -30.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 2.48 109.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 95.09 99.31 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.91 111.009 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 176.22 -67.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 2.22 109.342 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.93 43.91 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 1.17 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.556 ' CG2' HG22 ' A' ' 26' ' ' THR . 17.7 m -140.18 173.3 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.65 110.412 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 32' ' ' LEU . 15.8 mt -108.72 170.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.7 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 17.7 t0 -163.24 171.61 15.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.7 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -55.03 -50.84 84.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 2.43 110.998 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -31.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.81 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.27 -60.43 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 2.02 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -54.82 -34.09 62.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 1.57 111.031 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -51.0 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.53 109.287 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.1 m -67.36 -42.92 82.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.96 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.539 ' HB2' HG11 ' A' ' 55' ' ' VAL . 5.0 tpt -50.81 -60.51 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 2.21 110.992 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -56.15 -60.12 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.86 111.009 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -44.92 -56.1 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.01 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -60.53 -32.11 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 5.7 110.279 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -59.3 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 2.95 109.252 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 3.7 ptm -60.31 -25.37 65.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 3.56 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -59.35 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 3.04 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -44.78 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 5.05 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 2.98 110.407 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.822 HD13 ' C ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 2.17 109.308 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.735 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.0 p -53.55 -45.35 69.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 3.76 110.452 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.66 -43.48 93.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 3.86 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -71.56 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 3.09 110.312 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.4 pt20 -49.62 -40.09 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 6.13 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 5' ' ' THR . 11.6 mm -70.46 -29.16 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 2.93 109.315 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.5 -43.3 77.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.06 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.92 -47.64 57.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 4.6 110.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 10.5 m-85 -57.62 -28.41 63.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 2.39 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -60.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 2.08 109.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.93 -32.77 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 5.69 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -66.87 -56.25 11.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.96 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 40.5 t80 -36.55 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.79 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.23 -53.48 56.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.54 110.008 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.2 mt -70.26 -51.31 31.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.84 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.3 m-85 -55.51 -35.8 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 3.5 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 27.9 t0 -96.59 39.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.68 109.285 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -38.14 -45.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.78 109.279 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' CB ' ' OE2' ' A' ' 31' ' ' GLU . 25.4 m-20 -49.34 -53.46 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 2.28 109.315 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 88.02 39.81 6.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.137 . . . . 0.81 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 0.9 OUTLIER -112.14 -35.71 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 2.7 109.336 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.77 -4.65 5.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.15 . . . . 0.98 111.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.527 ' C ' HD12 ' A' ' 27' ' ' ILE . 26.6 p -122.31 149.62 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 1.22 110.438 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -104.25 77.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.73 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.755 ' HA ' HG23 ' A' ' 62' ' ' THR . 24.3 m -45.63 141.83 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.53 110.418 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 p -41.87 -36.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.58 110.449 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' H ' HG22 ' A' ' 28' ' ' THR . 16.0 pttp -62.73 -47.11 85.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 4.22 109.328 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.3 mt-10 -62.58 -31.22 72.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.79 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 HD12 ' A' ' 48' ' ' LEU . 1.7 tm? -63.52 -53.18 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 2.35 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.08 -28.5 70.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.48 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -62.26 -49.09 77.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.6 110.389 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 31' ' ' GLU . 47.7 t -57.5 -50.01 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.44 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' VAL . 12.0 mmt -37.06 -54.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.62 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -49.44 -48.34 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 4.97 110.311 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -45.88 -29.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.71 109.946 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 88.0 mt -89.45 -33.68 16.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.57 109.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 142.58 -48.98 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.91 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -49.86 139.34 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 4.62 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.417 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.8 m120 -132.02 64.03 70.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 4.08 109.273 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.0 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.777 . . . . 0.76 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -109.05 141.43 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.56 110.367 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -19.8 35.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 3.03 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -57.73 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.45 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.24 -43.54 70.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.97 110.316 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 32' ' ' LEU . 3.9 mm? -70.86 -24.49 62.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.55 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.7 tt0 -51.39 -37.76 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 2.13 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.37 -32.17 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.87 109.276 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.7 -57.97 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.68 111.034 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -49.64 -43.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.34 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.765 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 m-20 -65.0 -33.01 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.08 109.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.29 -60.19 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 2.33 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 56' ' ' ASP . 12.0 m -56.65 -46.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.41 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.4 t70 -50.48 108.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.77 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.42 -58.16 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.61 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 1.2 p30 -39.86 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 2.16 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 101.71 1.82 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.81 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 2.75 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.729 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 118.81 23.3 3.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 1.29 111.028 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.755 HG23 ' HA ' ' A' ' 28' ' ' THR . 39.1 m -135.75 161.02 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.85 110.376 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 52' ' ' ILE . 8.6 mt -89.35 168.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.66 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' N ' HG22 ' A' ' 63' ' ' ILE . 5.8 t0 -151.33 174.25 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.35 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -62.26 -52.31 67.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 2.22 110.984 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.845 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -26.47 10.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.63 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 70.8 mt-10 -70.39 -60.35 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.54 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -55.36 -39.88 70.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.73 111.028 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -47.96 -43.44 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 2.2 109.324 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 3.0 m -71.11 -41.0 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.67 110.392 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.03 -60.14 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 2.79 110.988 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -60.47 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 2.78 111.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.52 -56.88 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.79 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -60.84 -40.25 92.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 3.82 110.302 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -45.75 -59.33 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 2.08 109.274 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -43.64 55.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 3.46 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -56.95 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 2.39 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -62.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 2.8 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 75' ' ' LYS . 8.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.98 110.427 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 4' ' ' LEU . 3.4 tm? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.32 -0.622 . . . . 2.32 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 HG13 ' A' ' 9' ' ' ILE . 17.0 m -45.47 -24.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 2.11 110.398 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.6 tt0 -56.43 -61.49 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.75 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -32.64 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 2.28 110.322 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 1.4 tp60 -63.51 -49.64 72.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 3.62 110.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 5' ' ' THR . 5.7 mt -49.3 -46.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.52 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.83 -47.85 42.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.56 109.304 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.91 -49.26 47.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 2.51 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 8' ' ' GLN . 15.3 m-85 -55.56 -44.95 77.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 3.03 111.052 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 3.59 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ALA . 2.0 mm-40 -71.7 -56.25 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 3.63 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -39.35 -46.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.68 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 64.5 t80 -34.38 -57.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 1.83 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' PHE . 1.1 t -37.55 -47.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.31 109.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.0 mt -70.28 -58.21 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 1.1 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' HG21 ' A' ' 35' ' ' VAL . 17.4 m-85 -44.14 -54.35 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 2.96 110.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -76.28 97.76 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.92 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -74.35 -55.17 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 1.64 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.75 -58.48 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 2.23 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.67 36.28 4.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.7 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.75 -38.66 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 1.76 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 26' ' ' THR . . . 129.93 39.68 0.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.95 111.05 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 25' ' ' GLY . 10.1 p -158.8 123.24 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 1.15 110.399 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.4 mp -86.73 79.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.79 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.687 HG21 ' HE3' ' A' ' 30' ' ' LYS . 52.7 m -46.06 150.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.54 110.408 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.701 ' HA ' HG21 ' A' ' 52' ' ' ILE . 62.6 p -48.84 -48.93 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.52 110.357 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HE3' HG21 ' A' ' 28' ' ' THR . 8.0 ptpt -65.96 -35.22 80.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 3.34 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.67 -28.73 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 2.09 110.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD22 HD11 ' A' ' 63' ' ' ILE . 33.9 tp -65.71 -49.45 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 2.19 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.14 -34.85 67.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.52 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -55.13 -55.21 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.6 110.383 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 19' ' ' PHE . 79.2 t -51.17 -53.6 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 1.36 109.291 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -41.39 -51.53 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 1.62 110.953 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 0.8 OUTLIER -59.27 -40.41 85.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 5.51 110.312 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -56.31 -23.06 34.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.64 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.6 -43.19 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.63 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.55 44.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 1.7 110.969 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -140.02 -174.73 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 3.1 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -156.41 62.31 2.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.78 109.277 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.96 166.58 28.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.61 111.004 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -101.35 152.77 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.59 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -19.64 65.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.03 110.271 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.68 -60.44 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.66 109.358 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.19 -44.44 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.78 110.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -71.07 -24.99 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.5 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 24.0 tt0 -49.42 -39.55 33.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 2.46 110.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.53 -32.93 70.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 2.12 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.0 mmt -70.52 -59.09 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.74 110.998 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.63 -46.74 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.41 109.291 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.938 ' N ' HD12 ' A' ' 52' ' ' ILE . 63.6 t-20 -65.3 -32.69 74.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.78 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.62 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.73 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 56' ' ' ASP . 33.9 m -53.63 -50.55 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.49 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.1 t70 -54.07 106.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 1.5 109.295 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -88.24 -55.7 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.71 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.93 -33.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 2.32 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.43 98.06 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.115 . . . . 1.15 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -164.2 -55.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 0.762 . . . . 2.86 109.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.56 36.81 0.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 1.27 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 28' ' ' THR . 24.7 m -146.77 154.79 41.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.63 110.422 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.691 HD11 HD22 ' A' ' 32' ' ' LEU . 16.2 mt -100.54 171.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.69 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.6 m-20 -152.86 -172.08 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 3.18 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -63.44 -49.85 76.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 2.38 110.984 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 1.37 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 73.7 mt-10 -43.1 -57.11 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.62 110.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.9 t80 -58.9 -52.57 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.57 110.951 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.33 -41.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.79 109.26 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -69.58 -45.47 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 1.02 110.418 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -50.5 -60.26 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 2.42 110.953 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -57.49 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 2.94 111.018 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.72 -54.54 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.7 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.09 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 3.41 110.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -58.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 3.58 109.359 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.563 ' HA ' HG22 ' A' ' 79' ' ' THR . 11.8 mtp -55.89 -45.47 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 3.61 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -55.93 -57.13 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 2.81 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.61 -60.97 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 3.57 109.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.23 110.412 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.316 -0.624 . . . . 2.31 109.316 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 t -41.02 -33.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.13 110.405 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.78 -58.43 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 2.58 110.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.28 -28.51 65.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.91 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -69.68 -56.89 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 2.86 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 9' ' ' ILE . 23.5 mm -49.78 -39.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.89 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.05 -58.0 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.56 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.67 -46.96 62.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 2.51 110.326 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -49.32 -39.09 30.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.97 110.999 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -60.13 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 2.4 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.84 -40.49 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 3.05 110.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -52.48 -57.13 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 0.68 109.253 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.8 t80 -34.84 -52.81 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.08 111.04 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 t -39.3 -47.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.21 109.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' ALA . 21.3 mt -70.81 -60.28 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.67 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -42.72 -43.01 3.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.78 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.24 98.93 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 38.2 mmtt -70.04 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.64 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -43.59 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 3.38 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.4 40.91 0.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.89 110.969 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -112.1 -31.23 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 1.58 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 26' ' ' THR . . . 124.76 38.07 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.94 111.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' GLY . 17.2 p -158.21 133.38 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 1.34 110.457 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.5 mp -94.08 77.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.81 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.49 ' HA ' HG23 ' A' ' 62' ' ' THR . 18.8 m -47.57 153.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.62 110.384 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.711 ' HA ' HG21 ' A' ' 52' ' ' ILE . 47.2 p -48.56 -51.1 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.66 110.401 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -62.77 -37.38 86.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 2.6 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.87 -26.44 68.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 2.2 110.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.869 HD11 HD12 ' A' ' 48' ' ' LEU . 1.6 tm? -70.69 -43.99 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 2.15 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.89 -19.14 78.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.52 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 21' ' ' LYS . 89.5 m -66.0 -60.47 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.64 110.358 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.731 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.8 p -54.83 -52.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.88 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 35' ' ' VAL . 10.6 mmt -45.58 -49.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.14 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -58.45 -48.2 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 5.97 110.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 t -59.07 -19.37 43.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.58 110.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.0 mt -89.79 35.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 2.41 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLN . . . 80.59 -49.94 3.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 1.65 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -49.05 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 3.95 110.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.562 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -165.08 57.09 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.78 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 176.93 9.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.811 . . . . 0.63 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -105.65 150.68 25.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.55 110.366 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -21.25 65.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.14 110.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -59.55 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.39 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.73 -45.32 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 2.02 110.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 HD11 ' A' ' 32' ' ' LEU . 4.2 mm? -70.59 -23.07 62.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.45 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 21.9 tt0 -53.95 -37.65 64.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.59 110.261 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.26 -31.01 66.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mmm -70.46 -59.4 2.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.22 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.006 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.58 -48.77 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.39 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 1.006 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -62.93 -33.85 76.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 2.23 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.16 -59.67 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.86 110.292 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.582 HG11 ' CG ' ' A' ' 71' ' ' MET . 17.4 m -59.02 -42.85 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.47 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 29.1 t70 -50.22 108.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.74 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.71 -44.41 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.58 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 15.8 p-10 -51.15 -27.46 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.42 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.67 109.63 1.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.81 110.957 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 3.4 p-10 170.59 -54.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 2.57 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.34 46.12 0.38 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 1.29 111.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 28' ' ' THR . 21.7 m -146.8 167.15 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.67 110.354 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG22 ' A' ' 52' ' ' ILE . 22.3 mt -111.36 173.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.57 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 63' ' ' ILE . 67.6 m-20 -168.0 -174.83 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 2.7 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -51.86 -50.0 80.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.7 111.005 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.1 Cg_endo -75.06 -64.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.564 1.823 . . . . 1.35 110.945 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PRO . 55.7 mt-10 -34.75 -54.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.75 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.3 t80 -65.18 -48.55 73.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.54 111.035 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.43 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 2.07 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -69.44 -40.86 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.79 110.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.582 ' CG ' HG11 ' A' ' 55' ' ' VAL . 7.5 ttt -54.5 -58.66 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.44 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LYS . 15.8 ttm -58.64 -59.22 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 3.33 111.029 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.36 -55.09 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.94 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 3.8 mmm180 -60.73 -26.26 67.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 6.25 110.271 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.73 -58.87 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 2.16 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.751 ' HA ' HG22 ' A' ' 79' ' ' THR . 1.7 ptt? -61.61 -24.11 66.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 3.95 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' MET . 16.1 ttmt -60.48 -60.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 3.65 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.05 -59.99 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 4.62 109.262 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.36 110.429 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 8' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 2.22 109.276 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -39.72 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.71 110.43 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -63.27 -60.29 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 2.53 110.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pt-20 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 2.57 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -70.55 -61.23 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 4.34 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 5' ' ' THR . 2.4 pp -52.73 -25.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 3.45 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.08 -60.25 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.53 109.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.55 -45.61 65.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 2.6 110.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.44 ' CG ' ' OE1' ' A' ' 8' ' ' GLN . 1.6 m-85 -48.17 -31.55 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.62 111.046 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -57.67 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.03 109.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.5 -38.07 71.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.2 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -58.88 -49.24 78.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.72 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 12.3 t80 -36.09 -49.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 2.01 111.012 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 t -41.8 -45.62 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.42 109.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' ALA . 24.7 mt -70.07 -60.31 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.59 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HA ' HG21 ' A' ' 35' ' ' VAL . 25.1 m-85 -46.45 -51.69 14.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 2.7 110.972 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' OD2' ' CA ' ' A' ' 25' ' ' GLY . 5.7 t0 -88.4 60.72 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.57 109.256 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 34' ' ' THR . 0.3 OUTLIER -63.66 -17.21 62.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 1.62 109.317 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -44.8 73.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 2.08 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.35 36.03 13.32 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.87 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -128.29 12.07 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 1.66 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' CA ' ' OD2' ' A' ' 20' ' ' ASP . . . 73.73 2.14 60.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 1.03 110.966 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.524 ' CG2' HG21 ' A' ' 62' ' ' THR . 58.3 m -116.98 133.01 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 2.19 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mp -103.21 84.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.66 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.7 m -55.52 147.57 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.45 110.385 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 52' ' ' ILE . 71.9 p -41.92 -44.57 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.58 110.422 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -61.44 -42.67 99.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 2.54 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' THR . 25.8 mt-10 -63.6 -30.11 71.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.13 110.249 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.787 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.6 tt -63.63 -52.4 61.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.61 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.06 95.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 1.01 111.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.759 HG21 ' HD3' ' A' ' 21' ' ' LYS . 89.4 m -41.6 -54.66 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.59 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 19' ' ' PHE . 13.1 t -62.16 -57.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.67 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' VAL . 24.2 mmt -34.96 -52.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.05 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -51.5 -58.14 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.85 110.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -28.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.6 109.949 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -87.09 46.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.49 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.11 50.28 22.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.84 111.008 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -140.97 -176.61 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 3.43 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -172.55 64.01 0.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.89 109.297 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.01 175.93 10.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.803 . . . . 0.54 110.999 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.625 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -108.49 141.78 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.58 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -19.35 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 2.64 110.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -55.46 18.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.52 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.55 -37.29 86.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.63 110.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.65 -25.63 63.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.57 109.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 36.0 tt0 -56.82 -36.45 69.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.98 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.17 -34.15 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 2.13 109.324 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -57.52 4.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 2.32 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HG22 ' A' ' 29' ' ' THR . 2.4 pp -48.92 -43.55 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.44 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.472 ' N ' HD12 ' A' ' 52' ' ' ILE . 21.8 t-20 -66.6 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.29 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -70.55 -56.51 6.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.88 110.298 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.77 HG11 ' HG3' ' A' ' 71' ' ' MET . 13.0 m -60.16 -46.02 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.53 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.3 t70 -55.22 109.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.83 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -97.5 -48.06 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.76 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ALA . 1.6 p30 -40.33 -31.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 2.75 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.77 89.5 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 1.12 111.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.53 -63.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 2.88 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.45 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 1.31 111.017 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.524 HG21 ' CG2' ' A' ' 26' ' ' THR . 25.2 m -150.13 166.9 28.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.66 110.359 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HD12 ' A' ' 32' ' ' LEU . 2.0 mt -103.42 165.42 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.76 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.6 t0 -152.03 166.94 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 2.47 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -55.62 -50.86 84.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 2.32 110.957 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -29.63 8.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.92 110.977 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.93 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.01 110.309 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.4 t80 -50.23 -39.85 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.65 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.35 -55.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 3.12 109.326 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -58.63 -52.13 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.78 110.377 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.77 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.38 -61.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 2.71 111.038 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 3.17 110.994 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.71 -57.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.92 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -60.89 -40.38 92.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 4.62 110.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -60.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 2.4 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.614 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -49.91 -43.36 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 3.72 111.003 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.86 52.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 3.99 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -60.89 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 3.57 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.05 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 2.69 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.9 t -58.61 -21.84 54.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 2.06 110.371 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -61.81 -56.76 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 2.52 110.252 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.62 -29.78 65.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 2.61 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 3.7 mm-40 -70.27 -60.58 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 2.98 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 69' ' ' LEU . 2.2 pp -51.34 -30.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.27 109.348 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -55.51 -59.87 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.55 109.255 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.56 -45.07 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 2.93 110.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -37.57 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 1.8 110.982 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -51.96 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 2.06 109.303 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -32.49 70.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 3.7 110.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -66.75 -42.54 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.72 109.268 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 42.6 t80 -38.05 -39.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.87 111.024 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -53.61 50.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.32 109.997 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.3 -59.55 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.63 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.799 ' HA ' HG21 ' A' ' 35' ' ' VAL . 10.5 m-85 -44.23 -44.93 8.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.72 110.994 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -99.96 46.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.45 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -41.2 -44.78 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.81 109.304 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.97 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 2.32 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.94 43.84 5.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.594 1.184 . . . . 0.79 111.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 26.87 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 2.03 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 27.13 13.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 1.15 111.025 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -148.19 115.59 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.35 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mp -83.24 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.91 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.4 m -78.05 150.21 33.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.44 110.386 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 29' ' ' THR . 37.8 p -41.95 -30.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.61 110.43 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' H ' HG22 ' A' ' 28' ' ' THR . 48.4 mttt -70.05 -44.49 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.41 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.49 -34.43 64.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.96 110.35 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HD12 ' A' ' 48' ' ' LEU . 61.5 tp -71.16 -60.28 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 2.29 109.234 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.67 -32.0 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.6 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 m -67.42 -57.55 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 0.64 110.416 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.1 t -51.82 -49.8 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 1.43 109.292 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mmt -37.83 -58.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 2.22 110.977 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.6 mtp85 -56.87 -42.67 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 5.37 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.5 t -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.56 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 37' ' ' ARG . 80.9 mt -83.45 -48.3 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.63 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 160.5 -43.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 1.74 110.957 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -45.73 172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 4.07 110.282 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.511 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 14.5 m120 -145.84 59.86 6.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 4.64 109.318 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.93 172.3 16.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.66 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.428 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -112.63 140.35 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.61 110.429 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -19.64 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 3.4 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.7 -58.91 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.47 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.93 -38.62 73.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.9 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 32' ' ' LEU . 4.1 mm? -70.3 -29.71 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.46 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 52' ' ' ILE . 56.5 tt0 -51.85 -37.92 53.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.41 110.296 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.7 -31.94 67.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.24 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -70.67 -58.9 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 3.36 110.952 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -47.13 -48.03 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.41 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.739 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.3 t-20 -61.08 -35.27 76.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 1.34 109.349 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -70.09 -60.33 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 2.13 110.321 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.6 m -56.62 -47.63 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.53 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 24.0 t70 -49.1 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.8 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 -48.12 5.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.54 109.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 36.7 p-10 -47.27 -30.13 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 2.46 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.45 111.94 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.77 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.0 p30 173.13 -51.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 2.71 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 119.97 39.43 0.65 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 1.27 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 23.9 m -147.13 161.17 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.57 110.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -99.89 178.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.72 109.331 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.601 ' H ' HG22 ' A' ' 63' ' ' ILE . 19.3 t0 -167.21 172.15 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 2.62 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -52.49 -52.92 59.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 2.12 110.98 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -32.98 4.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.6 110.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 51.5 mt-10 -66.0 -60.45 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.87 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.605 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -52.33 -44.7 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.7 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD11 HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -43.13 -48.71 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 2.77 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -60.35 -48.63 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.85 110.402 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.84 -60.42 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 2.82 110.998 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -56.99 -59.86 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.69 110.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -43.1 -54.79 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.69 109.315 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 1.4 mmm180 -61.02 -35.85 77.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 6.33 110.319 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.33 -60.02 4.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.43 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 21.0 ptm -58.32 -28.9 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 3.59 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.1 OUTLIER -60.93 -58.98 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.54 109.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.8 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' MET . 11.7 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 2.82 110.405 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.793 HD13 ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.237 -0.653 . . . . 1.94 109.237 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.567 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -58.3 -22.39 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.99 110.427 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.15 -60.82 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.63 110.325 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.18 -31.6 69.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.87 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 5.1 mm100 -68.84 -49.88 54.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 2.78 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.9 mm -47.12 -44.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 1.127 . . . . 2.61 109.264 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.23 80.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.88 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -70.36 -47.34 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.77 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 21.7 m-85 -59.96 -44.42 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 3.17 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.36 -58.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 3.21 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.92 -32.14 73.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 3.45 110.312 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -63.58 -59.04 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 1.5 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 17.6 t80 -37.44 -35.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 2.04 110.997 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.2 t -65.76 -52.1 53.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.25 110.032 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 65.9 mt -70.24 -49.57 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.68 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.47 -44.63 92.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 4.53 110.977 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.818 ' HB2' HD11 ' A' ' 27' ' ' ILE . 19.4 t0 -92.96 56.14 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.42 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.89 ' NZ ' HG21 ' A' ' 34' ' ' THR . 3.3 pttt -57.07 -38.02 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 5.49 109.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.57 -42.9 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.49 109.273 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.82 43.07 36.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.84 111.014 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.83 -20.44 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 2.02 109.305 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.85 2.21 27.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.85 111.013 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 ' HB ' HG21 ' A' ' 62' ' ' THR . 0.9 OUTLIER -140.16 138.2 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 1.06 110.396 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 20' ' ' ASP . 1.1 mp -95.53 97.6 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.71 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.6 m -64.35 144.09 57.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.53 110.423 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.466 ' HA ' HG21 ' A' ' 52' ' ' ILE . 51.0 p -37.22 -38.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.4 110.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.514 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 pttt -63.79 -52.64 59.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 3.49 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.899 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.4 mt-10 -45.95 -33.55 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.8 110.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 63' ' ' ILE . 2.7 tt -70.99 -59.91 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.69 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.16 45.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.67 110.961 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.89 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.6 m -63.6 -61.28 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 1.3 110.433 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 31' ' ' GLU . 90.6 t -43.78 -52.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.84 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 43' ' ' PRO . 15.5 mmm -38.5 -54.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.18 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -55.74 -43.22 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 3.73 110.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.71 -23.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.45 110.014 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.02 -35.73 17.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.6 109.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 144.13 -50.09 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.9 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -43.49 167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 4.32 110.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.7 m-80 -139.88 61.17 17.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 2.84 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.76 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -107.06 145.89 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.88 110.381 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.92 -20.05 65.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 2.39 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -58.8 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.51 109.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.1 -38.77 68.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 2.18 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.33 -30.22 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.44 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -53.98 -36.87 63.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 1.49 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.91 -33.52 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 2.35 109.309 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -57.66 4.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 2.73 111.041 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.568 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -49.77 -42.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.49 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.568 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 t-20 -62.44 -35.04 78.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.65 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -60.01 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 1.79 110.306 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.0 m -58.79 -34.86 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.62 109.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 22.7 t70 -65.69 109.38 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.98 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -104.33 -46.27 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.72 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.48 -30.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 2.89 109.251 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 92.8 96.74 1.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.87 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -179.98 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 2.18 109.33 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.14 46.59 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 1.25 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' HB ' ' A' ' 26' ' ' THR . 20.1 m -144.6 163.09 34.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.69 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -99.96 179.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.89 109.321 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 63' ' ' ILE . 34.5 t0 -172.73 -178.93 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 3.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.09 -50.8 85.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 2.97 111.024 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.03 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.65 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.93 -49.63 56.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.97 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 6.6 t80 -55.56 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 4.21 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -38.63 -51.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.45 109.316 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.4 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 96.3 m -52.55 -48.9 65.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.07 110.397 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' PHE . 10.4 tpt -51.34 -60.37 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 2.98 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 3.01 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.67 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -60.56 -37.33 80.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.15 110.274 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -47.51 -58.21 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.89 109.314 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.508 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -55.14 -42.03 72.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 3.92 110.982 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -57.75 11.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 3.43 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -54.6 -61.12 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 3.02 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 75' ' ' LYS . 12.7 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.01 110.411 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 2.6 109.33 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 13.8 t -41.94 -29.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 2.34 110.385 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.0 tt0 -53.78 -60.22 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 2.79 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 3.8 pt-20 -68.53 -36.15 78.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 2.3 110.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 13.2 tp60 -60.82 -60.16 4.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 3.71 110.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -43.21 -39.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 2.86 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -50.8 -58.31 6.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.5 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.51 -45.73 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.97 110.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -52.61 -30.34 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 1.87 111.017 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.92 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 2.15 109.311 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.29 -35.82 73.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.04 110.322 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.803 ' HB1' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.61 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.74 109.305 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 61.7 t80 -36.8 -47.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 1.74 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -43.64 -51.55 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.43 109.975 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 14.8 mt -70.66 -60.71 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.61 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.803 ' CZ ' ' HB1' ' A' ' 15' ' ' ALA . 18.6 m-30 -38.01 -38.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 3.24 110.956 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -102.78 103.34 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.09 109.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.812 ' CE ' HG23 ' A' ' 35' ' ' VAL . 22.7 mmtp -72.41 -61.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.48 109.321 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.09 -62.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 2.37 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.4 39.08 3.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.75 110.991 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.99 -36.69 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 1.42 109.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' ' 26' ' ' THR . . . 130.94 39.22 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 1.13 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.3 p -161.73 120.98 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.96 110.403 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.3 mp -81.86 79.59 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.89 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.46 ' HA ' HG23 ' A' ' 62' ' ' THR . 99.0 m -44.81 141.74 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.82 110.407 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.505 ' HA ' HG21 ' A' ' 52' ' ' ILE . 70.8 p -44.93 -51.04 10.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.58 110.364 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -58.66 -36.58 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.19 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.24 -28.23 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.18 110.287 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 48' ' ' LEU . 12.1 tp -69.25 -44.9 71.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.45 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.13 -26.57 72.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.74 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.481 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 87.0 m -66.47 -59.26 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.9 110.401 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' CE ' ' A' ' 21' ' ' LYS . 2.4 t -44.93 -55.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.14 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.845 ' HA ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 2.46 110.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 42' ' ' ASN . 26.2 mtt85 -50.08 -46.06 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 5.66 110.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -34.15 8.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.82 109.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 36' ' ' MET . 3.3 mt -69.92 -43.93 70.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 2.31 109.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 48.18 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 2.2 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -122.75 -38.59 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 0.794 . . . . 3.9 110.249 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.519 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 54.71 59.28 11.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.7 109.297 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 178.73 6.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.56 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.4 p -105.98 145.62 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.71 110.436 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.8 -19.5 65.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 2.83 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -57.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.49 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.58 -40.11 74.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 2.05 110.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.49 -27.65 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.69 109.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.71 -37.13 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.36 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.77 -34.54 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 1.69 109.25 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.85 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.56 111.011 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.808 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.65 -48.19 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.36 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.808 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -62.97 -33.81 76.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.02 109.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.96 -60.27 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 1.86 110.249 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 16.7 m -56.87 -44.01 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.42 109.253 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 18.9 t70 -51.2 109.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.76 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -98.64 -57.34 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.56 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -39.33 -35.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 2.11 109.311 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 60' ' ' ASP . . . 95.12 96.25 1.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.79 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -168.61 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 2.91 109.314 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.09 35.44 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.22 111.02 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.3 m -140.42 166.93 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.56 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 64' ' ' ASP . 4.7 mt -103.95 166.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.7 109.298 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.523 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.5 m-20 -156.49 -175.43 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 3.25 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -65.67 -48.77 63.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.66 111.024 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -32.44 5.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.7 110.978 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 69.4 mt-10 -69.86 -61.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.88 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 1.4 t80 -56.88 -34.1 67.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.54 111.036 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -50.73 -56.51 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.98 109.322 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 2.2 m -60.77 -49.36 77.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.85 110.382 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 5.2 ttt -50.56 -59.92 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.28 111.042 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 2.65 110.971 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.15 -58.5 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 1.14 109.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 3.21 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -44.34 -57.92 3.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.31 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.551 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.3 OUTLIER -57.82 -39.8 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 4.15 111.049 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -60.08 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 3.67 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.18 -61.16 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 2.98 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 76' ' ' MET . 6.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.73 110.406 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.26 -0.644 . . . . 2.52 109.26 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.921 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 m -44.43 -25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.69 110.381 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 4' ' ' LEU . 16.3 tt0 -60.16 -57.61 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 2.96 110.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.8 pt-20 -70.44 -28.45 65.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 2.71 110.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 4.1 tp-100 -69.67 -59.74 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.88 110.278 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 5' ' ' THR . 1.2 pp -55.72 -19.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 3.36 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.67 109.305 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.06 -44.22 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.05 110.276 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-85 -49.71 -30.16 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.73 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -60.01 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.17 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.21 -32.94 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 4.65 110.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.809 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -63.6 -43.77 95.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.69 109.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -39.81 -44.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.77 111.017 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 t -51.02 -50.94 57.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 1.53 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.5 -59.85 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.82 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.809 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.2 m-85 -42.07 -45.66 4.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 2.94 110.959 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.6 100.69 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HE2' HG23 ' A' ' 35' ' ' VAL . 39.1 mmtt -78.73 -54.56 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.65 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.79 -50.67 33.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 2.36 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.61 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.081 . . . . 0.62 111.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -22.47 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.5 109.303 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.58 29.66 2.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.98 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' GLY . 7.2 p -154.66 126.89 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 1.19 110.402 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.484 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.8 mp -92.76 105.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.7 109.264 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.5 m -80.38 152.96 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.66 110.393 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.699 HG22 HG12 ' A' ' 52' ' ' ILE . 43.1 p -38.08 -36.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.63 110.404 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mttt -69.92 -52.67 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 4.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' THR . 49.3 mt-10 -48.98 -31.61 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 2.15 110.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -71.08 -58.56 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.81 109.312 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -20.56 60.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.6 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.568 HG23 HH21 ' A' ' 37' ' ' ARG . 27.2 m -67.63 -43.69 79.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.8 110.399 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 ' HA ' ' A' ' 19' ' ' PHE . 10.7 t -70.68 -49.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 1.38 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.0 mmm -42.26 -62.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.91 111.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.568 HH21 HG23 ' A' ' 34' ' ' THR . 8.2 ppt_? -60.65 -27.11 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 5.01 110.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.66 -21.03 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.55 110.044 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -89.37 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 2.64 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.59 -42.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 2.03 111.023 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -48.65 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 4.46 110.291 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m-80 -153.89 61.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 2.22 109.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.54 111.007 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.03 138.59 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.67 110.382 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.95 -20.2 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.06 110.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -59.94 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.59 109.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.17 -43.94 52.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.6 110.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.8 mm? -70.53 -26.98 63.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.61 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -52.25 -37.82 56.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.66 110.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.63 -32.4 69.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.77 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.63 -58.69 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 2.29 111.022 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.802 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.92 -46.17 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.49 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.802 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.7 t-20 -64.11 -34.11 77.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.56 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -70.74 -60.04 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 2.29 110.338 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 56' ' ' ASP . 16.1 m -55.11 -50.16 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.63 109.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.7 t70 -52.58 106.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.2 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -86.1 -56.55 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.05 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.09 -34.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 2.17 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 89.23 86.86 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.53 111.017 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -151.06 -54.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 2.77 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.3 41.72 0.53 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.158 . . . . 1.33 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.0 m -147.28 155.11 41.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.56 110.378 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -87.04 163.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.7 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.564 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.0 t0 -151.64 154.19 35.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 2.86 109.322 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -49.01 -47.3 75.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 2.43 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -30.5 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.7 111.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -72.33 -60.09 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.63 110.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.9 -53.69 24.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.61 111.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -51.26 -45.62 62.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.85 109.286 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.419 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.6 m -64.18 -43.58 94.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.06 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.477 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 8.8 tpt -53.95 -60.42 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 3.42 111.048 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 4.05 111.044 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -47.19 -55.27 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.02 109.331 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.98 -32.1 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 5.19 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -58.97 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 3.07 109.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.655 ' HA ' HG22 ' A' ' 79' ' ' THR . 6.3 ptm -59.71 -22.25 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 3.8 111.043 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 76' ' ' MET . 2.9 ttmt -61.5 -59.99 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 3.9 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.48 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.65 109.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 76' ' ' MET . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 2.82 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.801 HD12 ' HB3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.294 -0.632 . . . . 2.48 109.294 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.1 m -32.99 -52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.27 110.393 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -50.01 73.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 3.61 110.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 mt-10 -61.15 -60.55 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 3.62 110.255 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.801 ' HB3' HD12 ' A' ' 4' ' ' LEU . 3.8 pt20 -50.31 -49.09 54.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 6.23 110.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 69' ' ' LEU . 14.9 mm -59.27 -32.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 2.71 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.01 -51.37 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.71 109.267 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -47.54 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 4.19 110.323 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.96 -43.7 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 2.67 110.962 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -58.75 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.83 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.83 -40.16 76.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.64 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -53.13 -53.3 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.82 109.314 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.4 t80 -33.03 -50.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.82 111.01 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -46.1 -60.37 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.55 109.98 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.88 -55.87 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.79 109.324 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.798 ' CE1' ' CE2' ' A' ' 68' ' ' PHE . 16.2 t80 -39.84 -44.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 5.34 111.018 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.84 100.97 13.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 1.03 109.263 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 34' ' ' THR . 49.8 mmtt -66.34 -65.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.7 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.64 -60.03 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.58 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.68 46.48 2.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.77 110.983 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -109.1 -10.51 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 1.35 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 26' ' ' THR . . . 106.98 22.39 7.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.91 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 25' ' ' GLY . 2.4 p -154.81 134.99 13.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.14 110.392 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.8 mp -99.22 96.53 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.65 109.362 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.3 m -58.69 156.66 10.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.55 110.388 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.523 ' HA ' HG21 ' A' ' 52' ' ' ILE . 37.0 p -51.92 -51.37 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.67 110.364 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -64.58 -31.15 72.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 2.4 109.301 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.73 -27.86 68.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 1.74 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 1.5 tt -67.21 -53.57 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.81 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -50.93 -31.81 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.52 111.06 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 21' ' ' LYS . 86.9 m -59.74 -56.89 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.61 110.356 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.0 t -52.22 -55.62 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 1.41 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -38.0 -43.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.97 111.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 9.1 mtm180 -60.73 -51.02 71.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 3.5 110.235 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.85 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.81 109.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -79.46 -49.09 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.66 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 139.9 44.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 1.87 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.22 175.83 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 3.05 110.308 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -157.47 63.22 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.76 109.306 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.79 111.003 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.65 36.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -20.0 52.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 2.44 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.95 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.78 109.313 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.82 -42.31 65.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 2.04 110.318 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 51' ' ' MET . 4.6 mm? -70.72 -26.75 63.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.76 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -51.89 -38.36 55.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 2.1 110.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -71.84 -32.28 67.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 2.23 109.32 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -70.36 -59.35 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 2.81 110.991 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.691 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -46.95 -48.18 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.34 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.691 ' N ' HD12 ' A' ' 52' ' ' ILE . 34.4 t-20 -60.72 -35.58 76.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 2.13 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.14 -58.31 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 2.36 110.301 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 71' ' ' MET . 3.4 m -59.73 -26.42 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.8 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 9.5 t70 -78.07 109.24 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.97 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -90.91 -55.65 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.62 109.292 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -35.8 -35.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.22 109.256 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 89.39 85.46 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 1.24 110.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -54.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 2.77 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.36 40.73 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 1.27 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.426 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.1 m -145.03 162.39 37.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.57 110.459 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 10.5 mt -100.02 171.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.68 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.4 t0 -168.19 177.95 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 2.76 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.512 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -57.6 -50.81 86.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 2.51 111.008 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -31.31 6.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.83 111.057 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 56.7 mt-10 -70.6 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.11 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.798 ' CE2' ' CE1' ' A' ' 19' ' ' PHE . 1.1 t80 -56.54 -41.99 77.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.54 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.76 HD22 ' OE1' ' A' ' 8' ' ' GLN . 2.2 mt -39.12 -51.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 2.76 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -66.98 -40.07 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 1.04 110.378 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 55' ' ' VAL . 11.3 ttt -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 2.95 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 11.8 mtp -60.38 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.12 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.62 -57.89 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.19 109.249 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -60.09 -23.91 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 3.33 110.336 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -57.55 -57.75 11.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 4.17 109.304 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.726 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -60.92 -22.39 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 3.16 111.036 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.2 OUTLIER -60.81 -60.14 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 3.13 109.304 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -53.64 -60.52 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 3.52 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 2.9 110.426 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.304 -0.628 . . . . 2.87 109.304 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.8 m -36.98 -35.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.73 110.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 7' ' ' GLU . 18.8 pt-20 -62.16 -55.57 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 4.16 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 pt-20 -71.15 -37.61 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.59 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -64.01 -54.04 40.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 3.47 110.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.79 -35.86 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 3.1 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.78 -55.55 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.5 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.03 -46.6 61.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.52 110.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.51 -38.5 44.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.82 111.031 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -49.68 -60.69 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 2.71 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.42 72.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 4.1 110.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -54.47 -50.58 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.63 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 27.8 t80 -37.46 -53.68 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.11 110.971 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PHE . 41.5 t -38.93 -48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.35 110.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 34.1 mt -70.39 -60.6 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.6 109.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 19.9 m-85 -43.32 -55.93 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.82 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 22.0 t0 -71.89 98.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.89 109.263 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -75.8 -54.07 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.69 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -54.92 -58.56 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 3.14 109.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.17 36.05 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.65 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 49.3 p-10 -104.92 -12.86 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 1.58 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.84 8.5 26.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 0.97 110.99 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.549 ' C ' HD12 ' A' ' 27' ' ' ILE . 1.4 p -135.87 146.9 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 1.11 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.1 mp -106.58 88.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.6 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' HG23 ' A' ' 62' ' ' THR . 23.6 m -52.98 150.14 5.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.51 110.398 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.518 ' HA ' HG21 ' A' ' 52' ' ' ILE . 71.8 p -40.16 -46.39 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.43 110.422 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.45 -42.11 88.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 2.17 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 52.2 mt-10 -55.68 -31.77 62.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 2.13 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.967 HD12 HD11 ' A' ' 63' ' ' ILE . 2.6 tt -66.21 -47.91 72.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.6 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.97 -19.18 73.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.59 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.645 HG21 ' HG3' ' A' ' 21' ' ' LYS . 63.6 m -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.84 110.427 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 36' ' ' MET . 1.8 p -72.27 -50.11 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.08 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.501 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 30.7 mmt -42.57 -58.84 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 2.31 110.98 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 34' ' ' THR . 6.6 ppt_? -63.46 -33.75 76.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.55 110.269 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -54.09 -24.93 19.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.72 110.064 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -79.11 -60.25 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 2.1 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.56 58.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 1.97 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -129.69 -41.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 3.41 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.604 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 61.29 54.97 3.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.89 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -176.96 3.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.76 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.757 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -112.42 140.77 46.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.83 110.358 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.51 -19.66 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.38 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 -58.97 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.46 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.48 -37.27 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.54 110.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.61 -27.67 64.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.49 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.3 tt0 -61.06 -34.56 75.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 1.84 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.59 -34.17 67.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 2.13 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -54.57 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.63 110.99 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.815 HD13 ' O ' ' A' ' 61' ' ' GLY . 2.9 pp -51.53 -32.01 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.49 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 t-20 -64.02 -33.8 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 1.44 109.345 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -60.53 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 2.09 110.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.0 m -51.84 -41.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.48 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 25.2 t70 -46.44 105.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.96 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.17 -57.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.98 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -49.78 -32.31 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.13 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . 101.49 118.38 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 1.09 111.032 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 2.9 p-10 163.37 -58.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 2.74 109.321 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.815 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 135.23 -24.23 3.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 2.02 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 28' ' ' THR . 72.2 m -78.33 170.22 16.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.73 110.347 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.967 HD11 HD12 ' A' ' 32' ' ' LEU . 8.9 mt -103.43 171.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.67 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 63' ' ' ILE . 2.6 t70 -152.81 157.98 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 2.43 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -49.18 -51.41 57.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 2.34 110.996 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.639 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -29.49 8.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.78 110.994 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.93 -55.23 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 2.06 110.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.8 t80 -56.55 -42.71 78.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.59 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -40.75 -40.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 2.14 109.334 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.5 m -70.56 -43.77 68.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.63 110.399 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 tpt -46.38 -60.62 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 2.37 110.994 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -59.76 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.68 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.47 -57.0 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.64 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -61.02 -38.06 84.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 4.04 110.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.88 -55.93 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 2.74 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.23 -41.86 85.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 3.8 111.033 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -59.95 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 2.44 109.341 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -59.99 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 3.34 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 2.37 110.414 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.275 -0.639 . . . . 2.46 109.275 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -38.29 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 2.98 110.406 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LEU . 7.2 tt0 -49.13 -61.12 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.92 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.06 -33.78 70.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 2.5 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 12' ' ' PHE . 2.2 tp-100 -60.58 -60.47 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 3.01 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.87 -19.78 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 2.93 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.28 -60.55 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.61 109.275 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.32 -44.43 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 2.83 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-30 -49.98 -31.94 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.69 110.997 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -52.71 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 2.37 109.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -30.21 66.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 4.3 110.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -65.6 -42.4 91.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.13 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CD2' ' CE2' ' A' ' 65' ' ' PHE . 17.2 t80 -50.92 -38.61 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.73 110.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 2.27 110.011 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 6.8 mt -62.56 -61.11 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.98 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.988 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.04 -30.91 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.32 111.014 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 21.5 t0 -105.42 53.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.48 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -47.46 -45.47 25.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 2.03 109.279 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -39.83 -55.75 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 2.08 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.37 9.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.73 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -28.51 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 1.68 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.25 26.91 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.05 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.2 p -154.67 119.13 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.99 110.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 20' ' ' ASP . 2.2 mp -82.63 95.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.61 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.903 ' HA ' HG23 ' A' ' 62' ' ' THR . 44.9 m -64.7 146.19 55.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.54 110.35 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.0 p -41.96 -39.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.65 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -44.5 96.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.65 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 46.4 mt-10 -65.23 -29.68 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.97 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 2.75 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -71.77 -20.48 78.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.63 110.967 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 53.9 m -70.14 -60.9 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.64 110.452 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.988 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.0 p -50.15 -37.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 1.78 109.325 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 14.9 mmt -48.68 -54.76 13.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.81 110.952 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 38' ' ' SER . 4.3 ppt_? -54.54 -28.75 47.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 8.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -70.92 -26.85 63.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.43 109.962 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.19 -49.28 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.79 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.07 51.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 2.48 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.439 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -166.12 135.59 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 4.31 110.305 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -127.98 68.29 75.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 2.82 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 -172.06 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 0.95 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -106.54 141.09 38.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.02 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -19.53 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 3.94 110.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . -70.02 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.69 109.356 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.43 -41.75 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 2.64 110.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 32' ' ' LEU . 4.3 mm? -70.45 -28.71 65.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.75 109.285 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 52' ' ' ILE . 35.9 tt0 -46.6 -40.32 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 2.08 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -72.39 -32.29 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 2.02 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.5 mmm -70.87 -55.47 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 3.55 111.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -52.44 -33.97 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.69 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.448 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.7 t-20 -67.83 -29.7 68.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 2.3 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.26 -59.31 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.34 110.281 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' SD ' ' A' ' 71' ' ' MET . 2.2 m -57.06 -39.89 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.88 109.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.418 ' OD1' ' CG ' ' A' ' 60' ' ' ASP . 16.5 t70 -50.42 107.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 1.11 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -105.02 -61.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.2 109.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD2' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -40.86 -29.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 2.7 109.308 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 102.54 110.01 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.18 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' OD1' ' A' ' 56' ' ' ASP . 0.2 OUTLIER 167.6 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 2.86 109.322 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.52 -42.55 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 2.54 111.012 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 28' ' ' THR . 46.7 m -61.31 154.19 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.9 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 4.1 mt -90.2 160.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.97 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -143.37 -171.72 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 3.71 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.41 -48.58 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.11 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.654 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.01 -33.7 4.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.75 111.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 57' ' ' ALA . 67.9 mt-10 -70.42 -39.57 74.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.57 110.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 1.4 t80 -70.64 -41.97 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 4.57 110.984 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -64.01 -45.26 89.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 2.24 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -63.15 -36.46 83.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.41 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.854 ' SD ' HG12 ' A' ' 55' ' ' VAL . 7.8 tpt -56.88 -60.22 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 3.71 110.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -55.78 -57.07 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 3.42 110.989 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 76' ' ' MET . . . -49.75 -50.57 43.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.34 109.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.0 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 4.39 110.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -62.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 3.71 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.513 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -61.87 -21.4 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 5.1 111.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.0 ttmt -62.73 -60.03 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 3.7 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -61.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.26 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 76' ' ' MET . 14.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 4.23 110.374 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 3.22 109.281 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.2 t -59.13 -19.72 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.99 110.356 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.39 -60.99 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 3.05 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -71.01 -28.04 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.94 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 2.3 mp0 -70.81 -60.65 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 4.54 110.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.07 HG22 HD11 ' A' ' 69' ' ' LEU . 1.8 pp -52.64 -21.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 3.03 109.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.4 -61.22 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.86 109.259 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -72.17 -43.79 64.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.22 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 m-85 -49.46 -36.35 22.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 2.73 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -61.1 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.99 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -34.65 69.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.98 110.311 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.653 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -55.92 -60.31 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.24 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 6.95 111.019 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -42.19 -41.48 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 3.14 110.027 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.5 mt -70.45 -46.32 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.01 109.319 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD2' HG11 ' A' ' 35' ' ' VAL . 73.7 m-85 -59.46 -37.94 79.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 2.99 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.14 100.68 9.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.48 109.338 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -77.48 -58.49 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.57 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -44.32 -48.26 9.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 2.2 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.39 31.28 19.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.137 . . . . 1.29 111.024 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -102.88 -33.98 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 2.06 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.02 -19.43 3.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 1.8 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.562 ' C ' HD12 ' A' ' 27' ' ' ILE . 86.9 m -103.11 145.28 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 2.09 110.389 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -109.06 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.67 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 30' ' ' LYS . 3.4 m -61.08 149.12 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.61 110.437 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.682 ' HA ' HG21 ' A' ' 52' ' ' ILE . 57.9 p -37.2 -36.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.4 110.37 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mtpt -68.64 -52.42 31.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 3.69 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' THR . 35.2 mt-10 -47.05 -31.55 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.94 110.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 2.9 tt -70.99 -52.37 20.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.58 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -71.38 -18.74 77.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.108 . . . . 0.79 110.989 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 21' ' ' LYS . 87.8 m -68.36 -49.72 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.9 110.386 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.608 HG11 ' CD2' ' A' ' 19' ' ' PHE . 8.5 p -71.75 -52.14 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.516 ' N ' HG13 ' A' ' 35' ' ' VAL . 41.2 mmm -41.15 -60.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 2.37 111.04 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 6.3 ppt_? -60.21 -33.68 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 4.07 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 3.6 t -60.56 -23.15 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.12 110.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -89.94 41.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.94 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.63 -51.56 4.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 2.54 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 74.0 mm-40 -50.25 -178.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 3.78 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.481 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t-20 -165.82 60.84 0.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 2.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.56 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -105.66 142.54 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.84 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -19.75 38.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.62 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.26 -60.28 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.46 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.67 -41.3 70.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 2.19 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -70.89 -23.98 62.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.45 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.5 tt0 -55.49 -36.27 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.39 110.247 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.95 -32.03 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.9 109.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -59.4 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 2.53 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -48.42 -46.69 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.37 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.3 m-20 -58.51 -35.02 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 2.1 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.01 -60.0 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.68 110.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.9 m -58.66 -28.21 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.56 109.252 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 31.9 t70 -64.93 108.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.97 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -102.56 -52.72 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.55 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -40.49 -30.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 2.03 109.345 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.31 95.47 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.9 110.992 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.11 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 2.54 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 44.08 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 1.25 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 26' ' ' THR . 22.3 m -142.96 168.74 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.74 110.425 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 5.0 mt -107.46 170.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.68 109.361 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 63' ' ' ILE . 15.4 t0 -160.63 167.65 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 2.44 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.02 -52.11 68.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.99 110.989 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -28.5 9.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.64 111.017 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -70.25 -55.54 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.52 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.64 111.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.07 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -39.85 -46.98 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.8 109.282 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.1 m -64.52 -45.34 87.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.65 110.41 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.502 ' SD ' HG12 ' A' ' 55' ' ' VAL . 11.0 tpt -53.45 -60.49 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 2.7 111.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -59.23 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.96 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.75 -54.95 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.71 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -61.43 -32.17 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 3.28 110.262 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -60.11 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.15 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 1.9 ptt? -60.23 -20.1 57.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 4.78 110.954 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.85 -57.59 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 2.81 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.19 -57.31 10.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.14 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 3.48 110.376 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 8' ' ' GLN . 1.2 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 2.89 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -48.9 -32.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.77 110.377 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.3 -43.57 85.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 2.49 110.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -44.28 71.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.99 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 4' ' ' LEU . 16.2 mm100 -66.93 -57.45 6.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 3.45 110.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 5' ' ' THR . 7.3 mm -41.54 -45.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 2.98 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -53.5 28.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.45 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.42 -46.55 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 2.53 110.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -22.97 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.9 110.986 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.25 -60.13 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.28 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.02 -33.37 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 3.24 110.338 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.56 93.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.75 109.268 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 41.9 t80 -38.62 -44.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.72 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -51.17 -60.06 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 1.46 109.983 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.6 mt -52.19 -52.63 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.89 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.654 ' CD1' HG21 ' A' ' 35' ' ' VAL . 37.5 m-85 -57.0 -29.54 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.98 111.0 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 2.3 t0 -75.96 91.32 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 2.31 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.679 ' HE2' HG23 ' A' ' 35' ' ' VAL . 51.8 mmtt -91.12 19.34 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 2.72 109.269 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -146.66 -51.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 2.34 109.309 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 41.48 6.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 0.7 111.028 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -22.22 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 1.68 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.4 8.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.85 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -144.93 130.57 18.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 1.11 110.333 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' OE2' ' A' ' 31' ' ' GLU . 18.1 mm -87.91 83.86 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.2 m -47.39 149.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.64 110.428 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.65 ' HA ' HG21 ' A' ' 52' ' ' ILE . 48.5 p -50.96 -56.09 14.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.86 110.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -26.09 68.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 2.3 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 19.5 tt0 -70.31 -33.69 71.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 2.78 110.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD13 HD12 ' A' ' 63' ' ' ILE . 1.6 tp -67.8 -38.3 83.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 2.28 109.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -25.84 72.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.53 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 21' ' ' LYS . 83.6 m -61.28 -55.22 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.56 110.38 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.679 HG23 ' HE2' ' A' ' 21' ' ' LYS . 2.2 t -50.77 -53.52 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 1.14 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.87 -42.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.96 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -50.1 -50.17 49.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 3.85 110.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -22.51 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.9 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -91.89 27.36 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 2.93 109.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.33 60.95 1.88 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.149 . . . . 1.76 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.4 -43.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 3.52 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 48.67 60.79 15.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.17 109.318 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.95 -174.57 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.79 110.985 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -112.17 138.57 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.64 110.451 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.28 -19.4 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.39 110.299 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.39 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.62 109.332 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.75 -39.13 84.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 2.12 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.659 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.43 -22.93 62.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.6 109.255 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.71 -37.77 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 2.03 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -71.42 -33.38 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.99 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.6 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 3.59 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.906 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -47.68 -48.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.46 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.906 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.4 t30 -66.34 -31.07 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.94 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -59.48 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.96 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 14.8 m -59.81 -40.73 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.46 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 24.6 t70 -57.43 109.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.76 109.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -99.67 -52.33 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.68 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -42.97 -29.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 2.19 109.333 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 89.73 114.86 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.095 . . . . 0.76 111.032 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' THR . 1.9 p30 172.03 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 2.76 109.256 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 116.29 46.62 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 1.31 111.026 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 32.2 m -152.92 158.09 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.61 110.372 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.824 HD12 HD13 ' A' ' 32' ' ' LEU . 11.8 mt -97.22 169.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.6 109.291 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.6 t0 -156.9 175.44 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 2.63 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -57.86 -52.29 75.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 2.06 111.016 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.97 -31.99 5.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.58 111.042 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -56.44 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.53 110.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.36 -41.23 88.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 1.6 110.972 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -51.96 25.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.79 109.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -50.49 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.65 110.392 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.474 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 tmt? -47.64 -60.45 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 2.32 111.017 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.407 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -58.01 -59.75 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 2.72 110.999 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.09 -54.57 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.91 109.276 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -41.32 96.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 4.59 110.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -42.15 -59.84 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 2.71 109.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.1 65.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.87 111.003 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -54.88 -57.6 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 3.02 109.319 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.34 -60.38 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.6 109.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 75' ' ' LYS . 43.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 3.15 110.427 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 8' ' ' GLN . 2.8 pp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.638 . . . . 2.33 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.7 m -71.5 -38.02 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.84 110.397 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.19 -60.17 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 2.87 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 pt-20 -64.63 -32.85 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.61 110.319 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.8 ' HB2' HD12 ' A' ' 4' ' ' LEU . 3.2 tp-100 -66.51 -57.71 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 2.91 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.43 -34.92 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 2.51 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -47.83 -58.59 4.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.6 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.38 -47.04 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.31 110.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.35 -45.96 55.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 2.07 111.022 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.17 -60.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 2.64 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -71.21 -51.12 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.95 110.332 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -42.89 -46.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.8 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 62.1 t80 -35.29 -53.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.81 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' PHE . 3.2 t -38.16 -48.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.67 110.04 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.523 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 96.1 mt -70.7 -60.5 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.58 109.307 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' HA ' HG21 ' A' ' 35' ' ' VAL . 11.7 m-85 -41.94 -45.24 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 3.06 110.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -85.2 96.41 9.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 1.21 109.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 35' ' ' VAL . 69.8 mmtt -75.89 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.93 109.331 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.7 p-10 -55.25 -44.7 75.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 4.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 82.73 36.31 16.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.75 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.69 -17.96 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 2.31 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.08 -4.08 14.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.96 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 p -133.84 143.75 48.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 1.32 110.414 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.5 mp -91.74 87.06 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.76 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 1.8 m -52.14 149.74 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.46 110.444 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 61.2 p -44.64 -51.69 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.49 110.408 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.56 -35.77 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 2.23 109.235 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 28' ' ' THR . 62.2 mt-10 -65.78 -29.91 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.94 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.91 HD12 HD11 ' A' ' 63' ' ' ILE . 6.0 tt -63.0 -47.43 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.82 109.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.31 -22.59 67.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.68 111.042 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 24.3 m -61.76 -46.03 91.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.93 110.369 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 19' ' ' PHE . 23.1 t -70.9 -54.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.33 109.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.1 mmt -39.67 -60.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.76 111.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 38' ' ' SER . 1.3 ppt_? -61.84 -35.02 77.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 4.78 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 2.4 t -46.74 -25.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.35 110.026 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.02 -60.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.04 109.361 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.47 59.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 1.83 111.073 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -130.28 -49.17 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 3.79 110.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 63.82 58.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.82 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 -177.66 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.58 110.986 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.611 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.5 137.83 41.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.402 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.72 -22.01 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.4 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.34 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.41 109.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.84 -42.83 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.48 110.294 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.35 -24.31 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.64 109.323 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 34.1 tt0 -57.22 -36.3 70.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 2.24 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -71.81 -32.79 67.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 2.02 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.0 mmm -70.29 -56.01 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 2.5 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -50.64 -37.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.34 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -66.23 -32.95 74.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 2.18 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.97 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 52' ' ' ILE . 6.3 m -55.77 -44.98 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.46 109.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 33.1 t70 -55.54 108.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.81 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.66 -44.43 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.77 109.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.3 p30 -46.76 -28.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 2.04 109.348 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' OD1' ' A' ' 60' ' ' ASP . . . 93.66 108.77 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.75 110.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 170.24 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 2.27 109.314 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.62 41.02 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 1.21 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.7 m -139.09 165.23 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.62 110.412 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.91 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -98.7 164.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.68 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.5 t0 -151.41 158.79 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 2.39 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -51.17 -50.14 77.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.22 111.013 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -28.14 9.36 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.66 110.998 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.97 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 1.59 110.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 1.52 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -49.77 -44.26 48.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 1.79 109.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -66.96 -42.67 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.76 110.383 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.62 -60.35 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 2.31 111.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -60.24 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 2.91 110.975 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -42.94 -57.68 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.67 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -61.07 -35.11 76.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.14 110.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.45 -59.16 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 2.48 109.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.626 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 ptm -60.0 -31.62 70.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 3.39 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' MET . 8.4 tttm -60.8 -59.94 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 2.61 109.319 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.6 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 3.42 109.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 76' ' ' MET . 8.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.03 110.441 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 2.15 109.314 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.3 m -56.85 -24.04 48.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.76 110.365 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 tt0 -66.19 -57.93 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 2.56 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.26 -27.16 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.1 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.73 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 5' ' ' THR . 2.3 pp -51.41 -33.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 3.37 109.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.85 -59.82 3.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.55 109.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.81 -46.16 63.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 2.4 110.276 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.86 -36.58 38.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.8 110.96 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -53.41 -59.3 4.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.14 109.288 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.32 -36.91 77.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 3.39 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.44 -46.63 88.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.65 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.4 t80 -36.71 -46.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 1.7 110.989 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -46.48 -46.88 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.93 110.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 79.4 mt -69.19 -60.84 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.67 109.322 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.744 ' HD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -43.59 -43.83 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.83 110.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.49 97.88 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.02 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 66.6 mmtt -77.33 -54.74 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.82 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.6 p30 -56.65 -46.1 81.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 3.91 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 80.4 40.05 13.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.81 110.948 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -106.85 -14.79 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 1.38 109.34 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 2.88 21.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.85 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 62' ' ' THR . 1.9 p -133.54 136.94 45.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 1.15 110.412 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.9 mp -94.38 84.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.59 109.268 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.425 ' HA ' HG23 ' A' ' 62' ' ' THR . 53.0 m -51.21 152.26 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.62 110.434 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' HG21 ' A' ' 52' ' ' ILE . 44.2 p -50.36 -49.82 53.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.45 110.366 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.48 71.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 2.49 109.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 53.2 mt-10 -70.4 -31.61 68.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 2.16 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 48' ' ' LEU . 19.1 tp -61.35 -47.86 83.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 2.41 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -72.48 -18.96 78.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.45 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.47 HG23 HH21 ' A' ' 37' ' ' ARG . 54.6 m -69.59 -49.36 54.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.58 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.744 HG21 ' HD1' ' A' ' 19' ' ' PHE . 7.2 p -68.12 -44.7 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.92 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 7.0 mmt -53.22 -60.45 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 2.03 110.981 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 HH21 HG23 ' A' ' 34' ' ' THR . 7.8 ppt_? -62.19 -31.16 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.5 110.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -56.92 -32.3 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.51 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.03 -35.03 79.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.94 109.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.74 -26.72 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 1.74 110.995 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 2.3 mm-40 -69.09 -173.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 2.88 110.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -168.18 58.06 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.71 109.258 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -75.04 -178.54 4.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.56 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -103.17 148.86 25.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.58 110.385 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -67.33 -19.91 65.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 3.37 110.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.26 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.38 109.309 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.91 -43.86 66.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.74 110.294 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD12 HD21 ' A' ' 32' ' ' LEU . 4.0 mm? -71.18 -20.19 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.56 109.308 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 52' ' ' ILE . 40.3 tt0 -58.82 -36.45 74.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.34 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.28 -28.55 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.91 109.272 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.02 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 2.38 111.022 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.749 HG22 HD11 ' A' ' 63' ' ' ILE . 2.5 pp -48.92 -43.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.65 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -66.97 -32.16 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.53 109.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -58.92 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 2.01 110.316 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.7 m -58.02 -45.71 88.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.54 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 29.3 t70 -47.36 100.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.72 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.57 -57.67 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.78 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.83 -32.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 2.53 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 105.3 116.05 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 1.72 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 163.03 -75.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 3.42 109.292 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 60' ' ' ASP . . . 151.12 -43.53 0.7 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 2.31 111.062 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.809 HG21 ' HB ' ' A' ' 26' ' ' THR . 8.4 m -58.83 172.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 1.12 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.749 HD11 HG22 ' A' ' 52' ' ' ILE . 3.2 mt -114.85 109.38 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.83 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.598 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 11.8 m-20 -83.39 -172.11 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 3.04 109.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.3 t80 -72.52 -45.52 9.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 3.31 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.4 Cg_endo -74.93 -24.43 12.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.85 111.038 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.0 -54.81 9.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 1.83 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.461 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -61.91 -41.86 98.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.56 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -52.29 9.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 2.82 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -63.17 -50.87 68.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.83 110.33 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -43.28 -60.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 2.33 110.992 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -56.42 -59.32 5.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.58 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.7 -57.91 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.79 109.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -60.72 -41.01 94.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.95 110.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -41.22 -53.38 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 2.13 109.294 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.517 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.53 -42.79 88.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 4.4 111.006 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -59.8 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 3.08 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -61.36 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.61 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 2.51 110.403 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.804 HD13 ' C ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.276 -0.638 . . . . 2.09 109.276 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.2 t -70.81 -38.33 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 2.18 110.435 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -58.01 -51.62 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 2.88 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.0 pt-20 -67.08 -33.79 76.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.1 110.31 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 11.8 mm100 -70.27 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 2.88 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.04 -19.6 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 3.03 109.308 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.62 -60.79 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.74 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.46 -44.57 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.45 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m-85 -53.2 -22.61 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.2 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -60.88 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.88 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.11 -36.22 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 3.18 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.4 -40.66 87.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.85 109.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 44.8 t80 -39.69 -51.24 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.77 111.02 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -44.4 3.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 1.52 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.51 -58.26 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.63 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.644 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.2 m-30 -45.95 -39.36 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 3.07 111.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -92.35 97.66 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.89 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.06 -59.76 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 1.6 109.283 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -45.55 -57.87 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 2.29 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 34.76 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.75 110.974 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 1.8 p30 -110.69 -41.74 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.737 . . . . 1.54 109.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' THR . . . 137.59 40.75 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 1.04 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.1 p -162.77 137.32 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 1.08 110.403 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.634 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.6 mp -97.75 86.1 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.86 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.7 m -47.69 141.86 5.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.83 110.371 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.688 ' HA ' HG21 ' A' ' 52' ' ' ILE . 64.5 p -41.8 -51.42 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.55 110.399 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.39 84.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.42 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' THR . 39.3 mt-10 -65.2 -28.06 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 2.38 110.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -65.92 -39.62 90.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 2.23 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.61 -24.7 75.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.51 110.98 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -63.23 -51.08 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.66 110.402 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 19' ' ' PHE . 61.5 t -54.55 -49.93 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.31 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.7 mmt -37.75 -55.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.6 111.019 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -50.4 -46.69 56.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 3.56 110.277 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -25.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.99 109.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -87.9 -47.39 8.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.84 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' HE21 ' A' ' 41' ' ' GLN . . . 137.33 43.95 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 2.1 111.011 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.419 HE21 ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -148.9 145.74 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 3.56 110.292 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -125.99 71.99 69.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 2.24 109.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.95 174.22 13.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.63 111.036 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.556 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -97.94 145.39 26.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.81 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -19.97 65.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.81 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.45 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.63 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.07 -40.73 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.98 110.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -71.0 -28.75 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.5 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 44.2 tt0 -49.31 -38.55 28.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 1.72 110.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -71.18 -30.18 66.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.06 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.6 mmt -70.44 -59.86 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.17 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.46 -49.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.56 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.967 ' N ' HD12 ' A' ' 52' ' ' ILE . 24.0 t-20 -65.36 -32.57 74.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 1.5 109.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.51 -60.02 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.76 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 22.8 m -58.04 -44.79 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.4 109.31 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASP . 10.5 t0 -53.22 110.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.57 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.09 -55.11 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.55 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -43.59 -34.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.26 109.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 98.17 107.75 2.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.9 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -170.32 -56.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 2.7 109.304 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 120.26 30.84 1.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 1.29 110.974 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -147.77 161.56 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.91 110.405 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 52' ' ' ILE . 3.8 mt -90.65 159.7 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.81 109.263 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.8 m-20 -140.91 -173.89 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.61 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.91 -49.11 10.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.04 110.986 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.01 -29.45 8.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.58 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -70.29 -60.14 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 1.9 110.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.1 t80 -56.25 -36.69 68.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.6 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.75 -50.28 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 1.7 109.292 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -70.4 -48.61 55.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.05 110.366 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.445 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -43.13 -59.8 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 2.9 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -56.43 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 2.82 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.35 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.99 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -60.88 -38.68 86.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 3.64 110.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -58.49 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 3.38 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -43.76 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 4.77 111.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -52.33 66.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 2.44 109.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -58.73 7.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 2.56 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 3.49 110.394 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.328 -0.619 . . . . 5.06 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 13.6 t0 88.45 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 7.33 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' C ' ' N ' ' A' ' 5' ' ' THR . 3.4 mt-30 -140.69 33.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 8.5 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER 40.43 28.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 2.4 109.272 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 3' ' ' GLN . 2.2 m -71.67 -29.85 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.73 110.376 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.81 -60.82 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 3.45 110.346 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.58 ' OE2' HD13 ' A' ' 4' ' ' LEU . 3.5 pt-20 -56.19 -37.01 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 2.59 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.32 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 3.03 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -45.08 -41.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 2.85 109.337 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.18 -58.85 4.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.5 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.43 -45.15 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 2.6 110.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -28.14 18.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.85 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -66.23 -55.25 17.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 1.8 109.286 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.21 -35.03 71.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 3.29 110.304 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -66.52 -46.64 75.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.7 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CG ' ' CE2' ' A' ' 65' ' ' PHE . 14.3 t80 -37.6 -39.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.94 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -51.29 -48.64 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 2.15 110.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 14.6 mt -70.13 -59.97 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.55 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 35' ' ' VAL . 19.2 m-85 -42.17 -35.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 2.82 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 2.7 t0 -89.04 89.98 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 1.1 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HE3' ' HB ' ' A' ' 34' ' ' THR . 55.2 mmtt -73.7 -58.92 2.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 1.64 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 20.6 p-10 -55.39 -48.98 73.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 3.98 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 89.73 42.46 5.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.155 . . . . 0.84 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' OD1' ' OD2' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -115.85 11.65 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 2.28 109.321 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.75 -12.95 55.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 1.28 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.585 HG23 ' OD1' ' A' ' 64' ' ' ASP . 19.5 m -111.48 142.27 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 2.02 110.384 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.8 mp -103.61 103.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.7 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.1 m -76.43 152.13 36.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.65 110.411 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.649 HG22 HG12 ' A' ' 52' ' ' ILE . 62.1 p -37.69 -40.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.6 110.412 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -64.99 -51.63 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 3.6 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 34.4 mt-10 -49.38 -34.84 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 2.27 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.946 HD12 HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -70.95 -56.56 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 1.68 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.35 -21.04 59.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.46 111.001 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' HE3' ' A' ' 21' ' ' LYS . 91.9 m -67.88 -53.68 24.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.65 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 19' ' ' PHE . 40.1 t -57.11 -53.46 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.41 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.76 -43.92 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 2.31 110.977 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mtt180 -58.76 -44.86 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 4.63 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -53.4 -19.83 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.08 109.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.5 mt -89.22 16.37 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 2.11 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 88.8 -41.93 3.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 2.26 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -49.95 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 4.17 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -154.39 64.83 4.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 1.78 109.3 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.95 169.07 23.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.66 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -112.26 143.24 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.03 110.444 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -20.73 9.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 2.63 110.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.74 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.55 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -38.62 73.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 2.09 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.55 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -70.84 -24.72 62.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.69 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -58.54 -35.65 72.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.6 110.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.88 -33.85 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.77 109.323 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.3 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 3.44 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 63' ' ' ILE . 2.8 pp -47.97 -46.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.44 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.772 ' N ' HD12 ' A' ' 52' ' ' ILE . 54.5 t30 -62.34 -34.13 76.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 2.15 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -59.95 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.19 110.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG3' ' A' ' 71' ' ' MET . 20.6 m -58.31 -48.62 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.53 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' N ' HG23 ' A' ' 55' ' ' VAL . 25.5 t70 -43.88 108.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.78 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.44 -57.18 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.71 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -39.5 -35.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 2.08 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.58 109.63 2.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.91 111.056 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 3.0 p30 176.88 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 2.81 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 119.36 45.51 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 1.29 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 m -152.88 166.35 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.84 110.437 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.946 HD11 HD12 ' A' ' 32' ' ' LEU . 1.2 mt -106.54 178.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.79 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.1 m-20 -166.88 176.77 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 3.14 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.84 -50.77 86.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 2.24 110.986 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.786 . . . . 0.66 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.94 -60.52 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.53 110.265 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.5 t80 -51.82 -45.58 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.56 110.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -43.58 -45.55 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.7 109.302 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -64.0 -46.73 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.68 110.431 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -51.1 -59.85 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.69 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.0 -55.08 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 3.5 111.02 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.85 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.66 109.295 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -20.62 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 3.79 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.63 -57.58 11.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 2.48 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -61.35 -26.99 68.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 5.52 110.983 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.1 tppp? -60.61 -55.53 32.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 2.6 109.316 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.67 -59.99 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 2.86 109.359 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 2.96 110.391 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.275 -0.639 . . . . 5.45 109.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.28 35.65 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 6.29 109.316 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.81 -49.94 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 6.12 110.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.717 HD12 ' CD ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -175.61 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 2.84 109.301 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.765 ' O ' HG23 ' A' ' 9' ' ' ILE . 3.4 m -37.47 -32.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.66 110.414 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.4 tt0 -62.52 -60.36 3.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 2.38 110.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -70.71 -28.31 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 2.41 110.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.717 ' CD ' HD12 ' A' ' 4' ' ' LEU . 1.3 mp0 -70.11 -59.53 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 4.08 110.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 5' ' ' THR . 2.0 pp -55.35 -19.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 3.18 109.265 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -69.16 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.54 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.5 -44.86 63.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 2.66 110.257 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 m-85 -50.2 -32.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 2.06 110.974 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -57.61 -59.38 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 2.12 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -31.53 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 3.99 110.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -65.63 -43.28 90.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.63 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 27' ' ' ILE . 28.5 t80 -39.06 -42.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 1.77 111.041 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -49.59 -53.87 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 1.59 109.987 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -67.89 -59.91 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.67 109.26 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.9 m-85 -42.09 -45.84 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.87 110.996 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 8.7 t0 -86.04 100.06 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 1.08 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 55.4 mmtt -73.84 -57.84 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 1.65 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -51.0 -65.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 2.56 109.3 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.59 41.99 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.76 110.995 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -111.2 -21.4 11.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 1.48 109.328 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 26' ' ' THR . . . 116.79 32.49 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.95 111.058 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 25' ' ' GLY . 5.2 p -158.94 128.25 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 1.06 110.434 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.0 mp -88.8 79.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.7 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m -52.29 154.34 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.66 110.431 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 45.0 p -45.08 -43.76 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.45 110.4 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -63.0 -41.95 99.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.4 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 20' ' ' ASP . 53.4 mt-10 -57.51 -41.72 81.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 2.03 110.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -63.53 -44.18 94.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.65 109.347 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.18 -23.72 77.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.65 110.982 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.2 m -69.91 -60.19 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.62 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 36' ' ' MET . 11.8 p -50.7 -51.93 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 2.01 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.503 ' N ' HG13 ' A' ' 35' ' ' VAL . 8.5 mmm -41.64 -45.41 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 2.6 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 1.2 mtm105 -61.36 -46.36 90.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 3.31 110.349 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 t -57.71 -19.15 25.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.42 110.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.93 23.57 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 1.92 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.26 -46.23 3.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.525 1.141 . . . . 1.99 111.028 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 53.2 mm-40 -52.59 -174.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 3.31 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t-20 -163.65 60.6 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.81 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.99 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.83 111.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.713 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.0 p -102.0 152.57 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.79 110.383 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.1 -19.33 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 3.02 110.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -60.22 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.51 109.343 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.19 -38.13 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 2.22 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.76 -29.08 65.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.52 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -53.52 -36.97 62.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 1.96 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -35.09 71.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 2.31 109.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -53.82 12.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 2.49 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.5 pp -52.86 -41.42 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.37 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.96 ' N ' HD12 ' A' ' 52' ' ' ILE . 37.4 t30 -67.35 -30.94 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.7 109.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.67 -57.92 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 2.73 110.241 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 71' ' ' MET . 6.2 m -60.83 -37.26 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.45 109.355 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.12 109.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.84 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 -54.24 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.55 109.257 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 20.3 p-10 -45.8 -31.71 2.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 2.68 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 107.36 1.45 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.14 . . . . 0.73 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.9 p30 176.26 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 2.87 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.29 42.42 0.7 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 1.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 21.4 m -140.39 167.06 23.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.77 110.396 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 2.5 mt -107.48 165.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.65 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.7 t0 -158.04 177.49 11.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 2.77 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.07 -50.58 83.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 2.51 111.023 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.07 -28.68 8.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.79 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.4 -59.8 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.53 110.309 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.62 -38.63 81.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 1.68 110.961 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -42.3 -52.93 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 1.92 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -65.88 -50.34 64.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.84 110.426 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.74 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -38.58 -60.91 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.138 . . . . 2.38 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . 7.2 tpt -60.54 -60.18 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 2.83 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.08 -58.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.67 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.49 -33.66 72.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 4.21 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -46.79 -59.15 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 2.67 109.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -53.3 -42.62 66.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 3.86 111.001 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -60.08 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 2.99 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.94 -61.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 2.84 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 76' ' ' MET . 12.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 2.3 110.369 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.913 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 5.61 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.65 26.06 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 6.23 109.294 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.543 ' HB3' HD13 ' A' ' 4' ' ' LEU . 1.4 tt0 -125.69 -57.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 6.18 110.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.944 HD22 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -176.68 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 2.78 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.944 ' N ' HD22 ' A' ' 4' ' ' LEU . 12.6 p -37.58 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 2.58 110.389 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.913 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 3.2 tm-20 -62.59 -57.57 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 4.11 110.317 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.3 pt-20 -69.79 -36.98 76.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 2.14 110.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.7 mm-40 -64.44 -54.16 36.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 3.06 110.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 5' ' ' THR . 6.6 mm -49.89 -39.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 2.5 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.33 -56.95 11.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.63 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.97 -47.33 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.92 110.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -47.35 -39.6 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 2.28 111.017 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -58.05 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.48 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -38.2 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 3.58 110.354 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -56.07 -48.7 75.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.67 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.758 ' CD1' ' CE2' ' A' ' 65' ' ' PHE . 60.2 t80 -37.3 -52.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 1.86 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -56.18 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 1.38 109.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.02 -52.69 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.74 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.775 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.7 t80 -42.72 -41.04 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 5.6 110.989 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.75 102.97 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 1.09 109.278 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HE2' HG22 ' A' ' 35' ' ' VAL . 65.4 mmtt -75.58 -43.66 47.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.63 109.264 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.18 -48.16 30.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 2.52 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.35 44.17 5.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.78 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.4 p30 -120.45 29.6 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 2.01 109.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.92 44.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.99 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -137.45 123.81 20.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.805 . . . . 1.26 110.388 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.4 mp -99.68 94.02 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.98 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -57.63 151.79 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.83 110.433 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.597 ' HA ' HG21 ' A' ' 52' ' ' ILE . 67.5 p -43.43 -52.2 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.58 110.435 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.24 -39.09 85.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 2.47 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 2.8 mt-10 -56.07 -31.84 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 1.67 110.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.048 HD12 HD11 ' A' ' 63' ' ' ILE . 3.7 tt -66.33 -51.72 54.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 1.61 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.66 -26.48 60.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.62 111.009 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -63.18 -44.82 94.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.73 110.394 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 19' ' ' PHE . 31.3 t -68.89 -50.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 1.47 109.26 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mmt -49.61 -60.25 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 2.17 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -62.61 -35.27 79.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 3.48 110.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -53.83 -21.58 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 2.57 110.001 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.89 -70.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 2.45 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.64 34.8 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 1.74 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -133.93 -173.19 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 2.96 110.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -166.39 61.67 0.68 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.88 109.338 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.51 111.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.678 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -100.03 151.03 21.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.56 110.398 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.7 -21.5 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.91 110.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.32 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.47 109.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -52.18 -40.88 62.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.63 110.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 44' ' ' THR . 4.3 mm? -70.45 -29.84 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.52 109.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.39 -38.05 65.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 2.25 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -71.68 -33.29 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.88 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 mtt -70.53 -54.97 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 3.48 111.031 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -51.99 -33.91 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.55 109.268 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.829 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.3 t30 -61.46 -33.49 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 1.93 109.346 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.97 -58.5 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.13 110.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.511 HG21 HG23 ' A' ' 63' ' ' ILE . 2.1 m -57.8 -39.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.62 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.74 109.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.02 109.339 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.02 -57.35 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.05 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -43.01 -34.76 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 2.83 109.294 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.71 105.13 2.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.89 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 168.3 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 2.73 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.58 -50.57 0.58 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.491 1.12 . . . . 2.73 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.433 HG23 ' C ' ' A' ' 27' ' ' ILE . 99.4 m -51.76 162.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 1.04 110.41 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.048 HD11 HD12 ' A' ' 32' ' ' LEU . 1.7 mt -102.58 178.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.85 109.276 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 63' ' ' ILE . 14.9 t0 -152.63 177.77 10.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 2.85 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.758 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -61.93 -52.98 64.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 2.26 110.953 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.956 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.74 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE1' ' OD2' ' A' ' 58' ' ' ASP . 38.4 mt-10 -70.33 -46.14 64.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.85 110.32 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 1.2 t80 -64.76 -45.21 87.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 2.01 110.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.96 -33.16 36.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 1.85 109.3 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -71.59 -33.22 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.73 110.4 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -59.75 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.77 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.493 ' HE3' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.53 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 6.98 110.987 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' N ' ' SD ' ' A' ' 72' ' ' MET . . . -60.58 -55.85 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.1 109.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 4.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -59.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 3.17 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.628 ' HA ' HG22 ' A' ' 79' ' ' THR . 25.6 mtt -53.57 -42.42 67.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 3.14 111.0 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 2.55 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -59.96 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 3.84 109.353 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.628 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 2.85 110.395 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.278 -0.638 . . . . 5.76 109.278 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.35 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 6.21 109.336 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 2.3 mt-30 -140.06 -72.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 6.88 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -173.35 32.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 2.81 109.334 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 m -71.68 -58.87 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 2.18 110.39 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.3 -52.43 63.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 3.15 110.328 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 mt-10 -51.72 -49.55 62.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 3.86 110.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.455 ' CG ' HD23 ' A' ' 4' ' ' LEU . 8.3 mm-40 -66.24 -57.12 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 2.88 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 16.7 mm -39.42 -39.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 2.5 109.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -58.42 -57.29 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.63 109.268 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.36 -48.16 68.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 2.79 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 72' ' ' MET . 1.2 m-85 -53.99 -45.68 71.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.93 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -60.43 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 2.89 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.63 -50.72 56.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 3.26 110.273 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.648 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -46.01 -46.52 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.61 109.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 4.2 t80 -36.28 -45.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 1.93 111.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.67 -53.37 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.58 110.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' ALA . 77.2 mt -70.82 -56.27 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.65 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.0 m-85 -45.37 -42.55 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 2.88 111.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -89.64 99.68 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.98 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.643 ' HE2' HG22 ' A' ' 35' ' ' VAL . 66.3 mmtt -71.73 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.68 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.35 -53.26 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 2.37 109.32 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.91 33.74 6.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.81 110.946 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -108.45 9.48 27.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 1.84 109.315 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.84 50.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.67 110.99 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' CG2' ' A' ' 62' ' ' THR . 4.4 m -102.62 136.51 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 1.75 110.388 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.8 mp -103.14 94.31 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.67 109.352 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -62.95 157.21 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.53 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 29' ' ' THR . 44.0 p -53.23 -50.49 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.55 110.402 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.78 -36.96 72.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 2.42 109.289 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.52 -32.72 73.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 1.66 110.329 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.942 HD12 HD11 ' A' ' 63' ' ' ILE . 1.9 tt -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.64 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.58 -19.34 70.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.5 110.969 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -69.56 -42.41 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.62 110.391 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.826 HG21 ' HA ' ' A' ' 19' ' ' PHE . 22.0 t -70.79 -51.29 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.4 109.37 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -43.54 -60.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 2.03 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -61.29 -39.36 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 4.51 110.29 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.38 -26.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.66 110.005 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.68 -44.01 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.82 109.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 164.59 -32.16 0.25 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.105 . . . . 1.66 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 mt-30 -61.06 -172.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 2.99 110.261 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 t-20 -167.51 60.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.82 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.07 173.62 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.62 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.1 p -100.97 150.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.63 110.385 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.38 -19.93 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 2.68 110.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.34 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.47 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -51.56 -42.84 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 3.23 110.303 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 44' ' ' THR . 4.0 mm? -70.51 -23.79 62.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.6 109.338 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.4 -36.33 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 2.43 110.3 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -71.13 -33.83 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.81 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -70.56 -56.74 5.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 2.53 111.039 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.535 HG22 HD11 ' A' ' 63' ' ' ILE . 2.6 pp -51.51 -39.51 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.5 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' HD12 ' A' ' 52' ' ' ILE . 18.3 t30 -64.93 -32.49 74.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.54 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -70.59 -59.21 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 2.99 110.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 71' ' ' MET . 12.9 m -58.83 -44.04 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.68 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.79 107.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.86 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -105.74 -46.87 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.8 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -41.76 -30.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 2.48 109.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 95.09 99.31 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.91 111.009 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 176.22 -67.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 2.22 109.342 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.93 43.91 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 1.17 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.556 ' CG2' HG22 ' A' ' 26' ' ' THR . 17.7 m -140.18 173.3 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.65 110.412 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 32' ' ' LEU . 15.8 mt -108.72 170.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.7 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 17.7 t0 -163.24 171.61 15.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 2.7 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -55.03 -50.84 84.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 2.43 110.998 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -31.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.81 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.27 -60.43 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 2.02 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -54.82 -34.09 62.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 1.57 111.031 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -51.0 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 2.53 109.287 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.1 m -67.36 -42.92 82.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.96 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.539 ' HB2' HG11 ' A' ' 55' ' ' VAL . 5.0 tpt -50.81 -60.51 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 2.21 110.992 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -56.15 -60.12 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.86 111.009 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -44.92 -56.1 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.01 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -60.53 -32.11 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 5.7 110.279 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -59.3 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 2.95 109.252 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 3.7 ptm -60.31 -25.37 65.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 3.56 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -59.35 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 3.04 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -44.78 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 5.05 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 2.98 110.407 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.299 -0.63 . . . . 5.64 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 55.05 19.88 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 7.33 109.285 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -37.62 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 8.57 110.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.822 HD13 ' C ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -126.81 -43.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 2.17 109.308 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.735 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.0 p -53.55 -45.35 69.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 3.76 110.452 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.66 -43.48 93.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 3.86 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -71.56 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 3.09 110.312 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.4 pt20 -49.62 -40.09 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 6.13 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 5' ' ' THR . 11.6 mm -70.46 -29.16 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 2.93 109.315 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.5 -43.3 77.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.06 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.92 -47.64 57.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 4.6 110.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 69' ' ' LEU . 10.5 m-85 -57.62 -28.41 63.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 2.39 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -60.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 2.08 109.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.93 -32.77 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 5.69 110.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -66.87 -56.25 11.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.96 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 40.5 t80 -36.55 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.79 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.23 -53.48 56.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.54 110.008 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.2 mt -70.26 -51.31 31.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.84 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.3 m-85 -55.51 -35.8 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 3.5 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 27.9 t0 -96.59 39.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.68 109.285 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -38.14 -45.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.78 109.279 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -49.34 -53.46 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 2.28 109.315 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 88.02 39.81 6.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.137 . . . . 0.81 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 0.9 OUTLIER -112.14 -35.71 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 2.7 109.336 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.77 -4.65 5.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.15 . . . . 0.98 111.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.527 ' C ' HD12 ' A' ' 27' ' ' ILE . 26.6 p -122.31 149.62 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 1.22 110.438 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -104.25 77.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.73 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.755 ' HA ' HG23 ' A' ' 62' ' ' THR . 24.3 m -45.63 141.83 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.53 110.418 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 p -41.87 -36.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.58 110.449 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' H ' HG22 ' A' ' 28' ' ' THR . 16.0 pttp -62.73 -47.11 85.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 4.22 109.328 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.3 mt-10 -62.58 -31.22 72.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.79 110.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 HD12 ' A' ' 48' ' ' LEU . 1.7 tm? -63.52 -53.18 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 2.35 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.08 -28.5 70.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.48 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -62.26 -49.09 77.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.6 110.389 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 31' ' ' GLU . 47.7 t -57.5 -50.01 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.44 109.325 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' VAL . 12.0 mmt -37.06 -54.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.62 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -49.44 -48.34 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 4.97 110.311 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -45.88 -29.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.71 109.946 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 88.0 mt -89.45 -33.68 16.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 1.57 109.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 142.58 -48.98 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 1.91 111.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -49.86 139.34 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 4.62 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.417 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.8 m120 -132.02 64.03 70.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 4.08 109.273 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.0 -173.75 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.777 . . . . 0.76 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -109.05 141.43 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.56 110.367 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -19.8 35.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 3.03 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -57.73 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.45 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.24 -43.54 70.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 1.97 110.316 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 32' ' ' LEU . 3.9 mm? -70.86 -24.49 62.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.55 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.7 tt0 -51.39 -37.76 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 2.13 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.37 -32.17 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.87 109.276 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.7 -57.97 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 3.68 111.034 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -49.64 -43.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.34 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.765 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 m-20 -65.0 -33.01 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 2.08 109.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.29 -60.19 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 2.33 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 56' ' ' ASP . 12.0 m -56.65 -46.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.41 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.4 t70 -50.48 108.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.77 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -95.42 -58.16 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.61 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 1.2 p30 -39.86 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 2.16 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 101.71 1.82 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.81 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.64 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 2.75 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.729 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 118.81 23.3 3.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 1.29 111.028 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.755 HG23 ' HA ' ' A' ' 28' ' ' THR . 39.1 m -135.75 161.02 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.85 110.376 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 52' ' ' ILE . 8.6 mt -89.35 168.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.66 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' N ' HG22 ' A' ' 63' ' ' ILE . 5.8 t0 -151.33 174.25 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 2.35 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -62.26 -52.31 67.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 2.22 110.984 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.845 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -26.47 10.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.63 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 70.8 mt-10 -70.39 -60.35 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.54 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -55.36 -39.88 70.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.73 111.028 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -47.96 -43.44 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 2.2 109.324 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 3.0 m -71.11 -41.0 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.67 110.392 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.03 -60.14 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 2.79 110.988 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -60.47 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 2.78 111.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.52 -56.88 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.79 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -60.84 -40.25 92.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 3.82 110.302 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -45.75 -59.33 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 2.08 109.274 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -43.64 55.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 3.46 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -56.95 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 2.39 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -62.15 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 2.8 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 75' ' ' LYS . 8.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.98 110.427 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.256 -0.646 . . . . 8.42 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -46.76 86.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 6.39 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' THR . 7.5 pm0 -141.59 20.64 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 8.78 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 4' ' ' LEU . 3.4 tm? 69.69 -61.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 2.32 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 HG13 ' A' ' 9' ' ' ILE . 17.0 m -45.47 -24.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 2.11 110.398 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.6 tt0 -56.43 -61.49 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 2.75 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -32.64 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 2.28 110.322 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 1.4 tp60 -63.51 -49.64 72.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 3.62 110.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 5' ' ' THR . 5.7 mt -49.3 -46.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.52 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.83 -47.85 42.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.56 109.304 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.91 -49.26 47.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 2.51 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 8' ' ' GLN . 15.3 m-85 -55.56 -44.95 77.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 3.03 111.052 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 3.59 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ALA . 2.0 mm-40 -71.7 -56.25 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 3.63 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' PHE . . . -39.35 -46.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.68 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 64.5 t80 -34.38 -57.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 1.83 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' PHE . 1.1 t -37.55 -47.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.31 109.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.0 mt -70.28 -58.21 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 1.1 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' HA ' HG21 ' A' ' 35' ' ' VAL . 17.4 m-85 -44.14 -54.35 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 2.96 110.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -76.28 97.76 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.92 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -74.35 -55.17 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 1.64 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.75 -58.48 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 2.23 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.67 36.28 4.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.7 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.75 -38.66 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 1.76 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 26' ' ' THR . . . 129.93 39.68 0.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.95 111.05 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 25' ' ' GLY . 10.1 p -158.8 123.24 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 1.15 110.399 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.4 mp -86.73 79.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.79 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.687 HG21 ' HE3' ' A' ' 30' ' ' LYS . 52.7 m -46.06 150.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.54 110.408 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.701 ' HA ' HG21 ' A' ' 52' ' ' ILE . 62.6 p -48.84 -48.93 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.52 110.357 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HE3' HG21 ' A' ' 28' ' ' THR . 8.0 ptpt -65.96 -35.22 80.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 3.34 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.67 -28.73 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 2.09 110.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD22 HD11 ' A' ' 63' ' ' ILE . 33.9 tp -65.71 -49.45 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 2.19 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.14 -34.85 67.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.52 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -55.13 -55.21 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.6 110.383 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 19' ' ' PHE . 79.2 t -51.17 -53.6 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 1.36 109.291 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -41.39 -51.53 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 1.62 110.953 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 0.8 OUTLIER -59.27 -40.41 85.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 5.51 110.312 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -56.31 -23.06 34.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 1.64 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.6 -43.19 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.63 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.55 44.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 1.7 110.969 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -140.02 -174.73 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 3.1 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -156.41 62.31 2.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.78 109.277 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.96 166.58 28.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.61 111.004 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -101.35 152.77 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.59 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -19.64 65.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.03 110.271 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.68 -60.44 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.66 109.358 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -51.19 -44.44 61.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 1.78 110.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -71.07 -24.99 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.5 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 24.0 tt0 -49.42 -39.55 33.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 2.46 110.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.53 -32.93 70.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 2.12 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.0 mmt -70.52 -59.09 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 2.74 110.998 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.63 -46.74 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.41 109.291 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.938 ' N ' HD12 ' A' ' 52' ' ' ILE . 63.6 t-20 -65.3 -32.69 74.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.78 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.62 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.73 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 56' ' ' ASP . 33.9 m -53.63 -50.55 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.49 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 55' ' ' VAL . 10.1 t70 -54.07 106.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 1.5 109.295 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -88.24 -55.7 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.71 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.93 -33.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 2.32 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.43 98.06 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.115 . . . . 1.15 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -164.2 -55.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 0.762 . . . . 2.86 109.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.56 36.81 0.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 1.27 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 28' ' ' THR . 24.7 m -146.77 154.79 41.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.63 110.422 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.691 HD11 HD22 ' A' ' 32' ' ' LEU . 16.2 mt -100.54 171.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.69 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.6 m-20 -152.86 -172.08 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 3.18 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -63.44 -49.85 76.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 2.38 110.984 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 1.37 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 73.7 mt-10 -43.1 -57.11 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 1.62 110.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.9 t80 -58.9 -52.57 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.57 110.951 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.33 -41.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.79 109.26 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 m -69.58 -45.47 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 1.02 110.418 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -50.5 -60.26 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 2.42 110.953 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -57.49 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 2.94 111.018 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.72 -54.54 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.7 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.09 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 3.41 110.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -58.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 3.58 109.359 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.563 ' HA ' HG22 ' A' ' 79' ' ' THR . 11.8 mtp -55.89 -45.47 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 3.61 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -55.93 -57.13 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 2.81 109.28 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.61 -60.97 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 3.57 109.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 2.23 110.412 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 5.78 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -66.8 -9.0 32.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 7.89 109.291 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.98 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 6.73 110.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -127.45 -60.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 2.31 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 t -41.02 -33.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 2.13 110.405 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 25.9 tt0 -58.78 -58.43 8.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 2.58 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.28 -28.51 65.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.91 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -69.68 -56.89 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 2.86 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 9' ' ' ILE . 23.5 mm -49.78 -39.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 2.89 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.05 -58.0 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.56 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.67 -46.96 62.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 2.51 110.326 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -49.32 -39.09 30.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.97 110.999 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -60.13 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 2.4 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -70.84 -40.49 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 3.05 110.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -52.48 -57.13 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.157 . . . . 0.68 109.253 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.8 t80 -34.84 -52.81 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.08 111.04 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 t -39.3 -47.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 1.21 109.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' ALA . 21.3 mt -70.81 -60.28 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.67 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.731 ' CD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -42.72 -43.01 3.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.78 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.24 98.93 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 38.2 mmtt -70.04 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 1.64 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -43.59 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 3.38 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.4 40.91 0.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.89 110.969 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -112.1 -31.23 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 1.58 109.295 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 26' ' ' THR . . . 124.76 38.07 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.94 111.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' GLY . 17.2 p -158.21 133.38 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 1.34 110.457 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.5 mp -94.08 77.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.81 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.49 ' HA ' HG23 ' A' ' 62' ' ' THR . 18.8 m -47.57 153.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.62 110.384 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.711 ' HA ' HG21 ' A' ' 52' ' ' ILE . 47.2 p -48.56 -51.1 29.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.66 110.401 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -62.77 -37.38 86.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 2.6 109.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.87 -26.44 68.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 2.2 110.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.869 HD11 HD12 ' A' ' 48' ' ' LEU . 1.6 tm? -70.69 -43.99 67.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 2.15 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.89 -19.14 78.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.52 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 21' ' ' LYS . 89.5 m -66.0 -60.47 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.64 110.358 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.731 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.8 p -54.83 -52.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.88 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 35' ' ' VAL . 10.6 mmt -45.58 -49.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 2.14 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -58.45 -48.2 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 5.97 110.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 t -59.07 -19.37 43.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.58 110.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.0 mt -89.79 35.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 2.41 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' GLN . . . 80.59 -49.94 3.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 1.65 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 36.6 mt-30 -49.05 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 3.95 110.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.562 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 t-20 -165.08 57.09 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.78 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 176.93 9.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.811 . . . . 0.63 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.4 p -105.65 150.68 25.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.55 110.366 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -21.25 65.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.14 110.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -70.24 -59.55 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.39 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.73 -45.32 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 2.02 110.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.869 HD12 HD11 ' A' ' 32' ' ' LEU . 4.2 mm? -70.59 -23.07 62.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.45 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 21.9 tt0 -53.95 -37.65 64.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.59 110.261 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.26 -31.01 66.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 2.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mmm -70.46 -59.4 2.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.22 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.006 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.58 -48.77 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.39 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 1.006 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -62.93 -33.85 76.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 2.23 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.16 -59.67 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.86 110.292 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.582 HG11 ' CG ' ' A' ' 71' ' ' MET . 17.4 m -59.02 -42.85 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.47 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 29.1 t70 -50.22 108.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.74 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.71 -44.41 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.58 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 15.8 p-10 -51.15 -27.46 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 2.42 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.67 109.63 1.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.81 110.957 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 3.4 p-10 170.59 -54.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 2.57 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.34 46.12 0.38 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 1.29 111.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 28' ' ' THR . 21.7 m -146.8 167.15 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.67 110.354 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG22 ' A' ' 52' ' ' ILE . 22.3 mt -111.36 173.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.57 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 63' ' ' ILE . 67.6 m-20 -168.0 -174.83 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 2.7 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -51.86 -50.0 80.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.7 111.005 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.1 Cg_endo -75.06 -64.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.564 1.823 . . . . 1.35 110.945 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PRO . 55.7 mt-10 -34.75 -54.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 1.75 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.3 t80 -65.18 -48.55 73.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.54 111.035 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -40.43 -49.29 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 2.07 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -69.44 -40.86 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.79 110.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.582 ' CG ' HG11 ' A' ' 55' ' ' VAL . 7.5 ttt -54.5 -58.66 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 2.44 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LYS . 15.8 ttm -58.64 -59.22 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 3.33 111.029 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.36 -55.09 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.94 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 3.8 mmm180 -60.73 -26.26 67.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 6.25 110.271 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.73 -58.87 6.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 2.16 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.751 ' HA ' HG22 ' A' ' 79' ' ' THR . 1.7 ptt? -61.61 -24.11 66.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 3.95 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' MET . 16.1 ttmt -60.48 -60.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 3.65 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.05 -59.99 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 4.62 109.262 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 2.36 110.429 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 4.75 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 45.73 32.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 5.86 109.308 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -43.9 3.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 6.34 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -172.32 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 2.22 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -39.72 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.71 110.43 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -63.27 -60.29 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 2.53 110.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pt-20 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 2.57 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.767 ' HB2' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -70.55 -61.23 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 4.34 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 5' ' ' THR . 2.4 pp -52.73 -25.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 3.45 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.08 -60.25 4.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.53 109.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.55 -45.61 65.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 2.6 110.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.44 ' CG ' ' OE1' ' A' ' 8' ' ' GLN . 1.6 m-85 -48.17 -31.55 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.62 111.046 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -57.67 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 2.03 109.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.5 -38.07 71.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 4.2 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -58.88 -49.24 78.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.72 109.297 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 12.3 t80 -36.09 -49.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 2.01 111.012 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.7 t -41.8 -45.62 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.42 109.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' ALA . 24.7 mt -70.07 -60.31 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.59 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HA ' HG21 ' A' ' 35' ' ' VAL . 25.1 m-85 -46.45 -51.69 14.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 2.7 110.972 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' OD2' ' CA ' ' A' ' 25' ' ' GLY . 5.7 t0 -88.4 60.72 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.57 109.256 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.759 ' HD3' HG21 ' A' ' 34' ' ' THR . 0.3 OUTLIER -63.66 -17.21 62.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 1.62 109.317 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -44.8 73.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 2.08 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.35 36.03 13.32 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.87 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -128.29 12.07 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 1.66 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' CA ' ' OD2' ' A' ' 20' ' ' ASP . . . 73.73 2.14 60.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 1.03 110.966 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.524 ' CG2' HG21 ' A' ' 62' ' ' THR . 58.3 m -116.98 133.01 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 2.19 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.1 mp -103.21 84.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.66 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.7 m -55.52 147.57 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.45 110.385 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 52' ' ' ILE . 71.9 p -41.92 -44.57 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.58 110.422 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -61.44 -42.67 99.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 2.54 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' THR . 25.8 mt-10 -63.6 -30.11 71.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.13 110.249 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.787 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.6 tt -63.63 -52.4 61.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.61 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.06 95.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 1.01 111.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.759 HG21 ' HD3' ' A' ' 21' ' ' LYS . 89.4 m -41.6 -54.66 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.59 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 19' ' ' PHE . 13.1 t -62.16 -57.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.67 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' VAL . 24.2 mmt -34.96 -52.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.05 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -51.5 -58.14 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.85 110.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -28.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 1.6 109.949 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -87.09 46.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 2.49 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.11 50.28 22.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.84 111.008 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -140.97 -176.61 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 3.43 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -172.55 64.01 0.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 1.89 109.297 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.01 175.93 10.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.803 . . . . 0.54 110.999 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.625 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -108.49 141.78 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.58 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -19.35 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 2.64 110.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -55.46 18.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.52 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.55 -37.29 86.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.63 110.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.65 -25.63 63.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.57 109.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 36.0 tt0 -56.82 -36.45 69.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 1.98 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.17 -34.15 70.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 2.13 109.324 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -57.52 4.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 2.32 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HG22 ' A' ' 29' ' ' THR . 2.4 pp -48.92 -43.55 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.44 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' N ' HD12 ' A' ' 52' ' ' ILE . 21.8 t-20 -66.6 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 2.29 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -70.55 -56.51 6.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.88 110.298 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.77 HG11 ' HG3' ' A' ' 71' ' ' MET . 13.0 m -60.16 -46.02 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.53 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.3 t70 -55.22 109.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.83 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -97.5 -48.06 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.76 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ALA . 1.6 p30 -40.33 -31.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 2.75 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.77 89.5 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 1.12 111.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.53 -63.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 2.88 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.45 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 1.31 111.017 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.524 HG21 ' CG2' ' A' ' 26' ' ' THR . 25.2 m -150.13 166.9 28.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.66 110.359 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HD12 ' A' ' 32' ' ' LEU . 2.0 mt -103.42 165.42 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.76 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.6 t0 -152.03 166.94 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 2.47 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -55.62 -50.86 84.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 2.32 110.957 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.98 -29.63 8.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.92 110.977 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.93 -59.92 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 2.01 110.309 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.4 t80 -50.23 -39.85 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.65 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -43.35 -55.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 3.12 109.326 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -58.63 -52.13 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.78 110.377 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.77 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.38 -61.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 2.71 111.038 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -60.91 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 3.17 110.994 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.71 -57.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.92 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -60.89 -40.38 92.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 4.62 110.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.67 -60.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 2.4 109.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.614 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -49.91 -43.36 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 3.72 111.003 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.86 52.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 3.99 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -60.89 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 3.57 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 2.05 110.385 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.274 -0.639 . . . . 6.71 109.274 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' ALA . 14.0 t0 -38.86 -51.26 1.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 7.32 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -178.94 35.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 7.87 110.288 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -92.26 -33.8 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 2.69 109.355 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.9 t -58.61 -21.84 54.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 2.06 110.371 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.1 tt0 -61.81 -56.76 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 2.52 110.252 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.62 -29.78 65.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 2.61 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 3.7 mm-40 -70.27 -60.58 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 2.98 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 69' ' ' LEU . 2.2 pp -51.34 -30.25 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.27 109.348 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -55.51 -59.87 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.55 109.255 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.56 -45.07 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 2.93 110.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -37.57 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 1.8 110.982 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -51.96 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 2.06 109.303 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -32.49 70.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 3.7 110.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -66.75 -42.54 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.72 109.268 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 42.6 t80 -38.05 -39.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 1.87 111.024 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -53.61 50.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.32 109.997 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.3 -59.55 2.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.63 109.275 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.799 ' HA ' HG21 ' A' ' 35' ' ' VAL . 10.5 m-85 -44.23 -44.93 8.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.72 110.994 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -99.96 46.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.45 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -41.2 -44.78 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 1.81 109.304 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.97 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 2.32 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.94 43.84 5.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.594 1.184 . . . . 0.79 111.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 26.87 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 2.03 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.14 27.13 13.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 1.15 111.025 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -148.19 115.59 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.35 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mp -83.24 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.91 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLU . 23.4 m -78.05 150.21 33.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.44 110.386 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 29' ' ' THR . 37.8 p -41.95 -30.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.61 110.43 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' H ' HG22 ' A' ' 28' ' ' THR . 48.4 mttt -70.05 -44.49 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 3.41 109.335 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.49 -34.43 64.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.96 110.35 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HD12 ' A' ' 48' ' ' LEU . 61.5 tp -71.16 -60.28 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 2.29 109.234 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.67 -32.0 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.6 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 m -67.42 -57.55 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 0.64 110.416 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.1 t -51.82 -49.8 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 1.43 109.292 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mmt -37.83 -58.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 2.22 110.977 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.6 mtp85 -56.87 -42.67 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 5.37 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.5 t -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.56 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 37' ' ' ARG . 80.9 mt -83.45 -48.3 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.63 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 160.5 -43.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 1.74 110.957 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -45.73 172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 4.07 110.282 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 14.5 m120 -145.84 59.86 6.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 4.64 109.318 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.93 172.3 16.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.66 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.428 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -112.63 140.35 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.61 110.429 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -19.64 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 3.4 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.7 -58.91 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.47 109.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.93 -38.62 73.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.9 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 32' ' ' LEU . 4.1 mm? -70.3 -29.71 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.46 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 52' ' ' ILE . 56.5 tt0 -51.85 -37.92 53.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.41 110.296 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.7 -31.94 67.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 2.24 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -70.67 -58.9 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 3.36 110.952 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -47.13 -48.03 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.41 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.739 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.3 t-20 -61.08 -35.27 76.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 1.34 109.349 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -70.09 -60.33 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 2.13 110.321 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.6 m -56.62 -47.63 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.53 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 24.0 t70 -49.1 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.8 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.89 -48.12 5.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.54 109.296 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 36.7 p-10 -47.27 -30.13 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 2.46 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.45 111.94 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.77 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 62' ' ' THR . 3.0 p30 173.13 -51.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 2.71 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 119.97 39.43 0.65 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 1.27 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 23.9 m -147.13 161.17 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.57 110.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -99.89 178.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.72 109.331 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.601 ' H ' HG22 ' A' ' 63' ' ' ILE . 19.3 t0 -167.21 172.15 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 2.62 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -52.49 -52.92 59.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 2.12 110.98 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -32.98 4.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.6 110.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' N ' ' A' ' 64' ' ' ASP . 51.5 mt-10 -66.0 -60.45 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.87 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.605 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -52.33 -44.7 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.7 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD11 HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -43.13 -48.71 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 2.77 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -60.35 -48.63 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.85 110.402 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.84 -60.42 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 2.82 110.998 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -56.99 -59.86 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.69 110.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -43.1 -54.79 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.69 109.315 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 1.4 mmm180 -61.02 -35.85 77.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 6.33 110.319 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.33 -60.02 4.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.43 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 21.0 ptm -58.32 -28.9 65.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 3.59 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.1 OUTLIER -60.93 -58.98 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.54 109.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.8 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' MET . 11.7 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 2.82 110.405 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.282 -0.636 . . . . 5.5 109.282 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' HA ' ' CB ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER 47.89 41.26 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 7.97 109.289 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 1' ' ' ALA . 2.6 pt20 -118.81 -32.55 4.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 6.19 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.793 HD13 ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -174.76 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.94 109.237 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.567 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -58.3 -22.39 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.99 110.427 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 2.0 tt0 -64.15 -60.82 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 3.63 110.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -70.18 -31.6 69.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.87 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 5.1 mm100 -68.84 -49.88 54.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 2.78 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 5' ' ' THR . 2.9 mm -47.12 -44.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 1.127 . . . . 2.61 109.264 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.23 80.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.88 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -70.36 -47.34 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 3.77 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 21.7 m-85 -59.96 -44.42 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 3.17 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.36 -58.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 3.21 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.92 -32.14 73.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 3.45 110.312 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -63.58 -59.04 5.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 1.5 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 17.6 t80 -37.44 -35.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 2.04 110.997 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.2 t -65.76 -52.1 53.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.25 110.032 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 65.9 mt -70.24 -49.57 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.68 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.826 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.47 -44.63 92.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 4.53 110.977 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.818 ' HB2' HD11 ' A' ' 27' ' ' ILE . 19.4 t0 -92.96 56.14 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.42 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.89 ' NZ ' HG21 ' A' ' 34' ' ' THR . 3.3 pttt -57.07 -38.02 72.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 5.49 109.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -52.57 -42.9 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.49 109.273 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.82 43.07 36.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.84 111.014 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.83 -20.44 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 2.02 109.305 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.85 2.21 27.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.85 111.013 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 ' HB ' HG21 ' A' ' 62' ' ' THR . 0.9 OUTLIER -140.16 138.2 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 1.06 110.396 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 20' ' ' ASP . 1.1 mp -95.53 97.6 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.71 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.6 m -64.35 144.09 57.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.53 110.423 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.466 ' HA ' HG21 ' A' ' 52' ' ' ILE . 51.0 p -37.22 -38.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.4 110.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.514 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 pttt -63.79 -52.64 59.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 3.49 109.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.899 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.4 mt-10 -45.95 -33.55 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 1.8 110.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 63' ' ' ILE . 2.7 tt -70.99 -59.91 2.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.69 109.304 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.16 45.93 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.67 110.961 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.89 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.6 m -63.6 -61.28 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 1.3 110.433 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 31' ' ' GLU . 90.6 t -43.78 -52.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.84 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 43' ' ' PRO . 15.5 mmm -38.5 -54.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 3.18 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -55.74 -43.22 76.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 3.73 110.272 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.71 -23.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.45 110.014 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.02 -35.73 17.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.6 109.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 144.13 -50.09 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.9 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -43.49 167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 4.32 110.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.7 m-80 -139.88 61.17 17.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 2.84 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.76 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -107.06 145.89 31.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.88 110.381 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -63.92 -20.05 65.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 2.39 110.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -58.8 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.51 109.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.1 -38.77 68.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 2.18 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 44' ' ' THR . 3.8 mm? -70.33 -30.22 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.44 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -53.98 -36.87 63.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 1.49 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.91 -33.52 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 2.35 109.309 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -57.66 4.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 2.73 111.041 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.568 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -49.77 -42.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.49 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.568 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 t-20 -62.44 -35.04 78.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.65 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -60.01 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 1.79 110.306 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.0 m -58.79 -34.86 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.62 109.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 22.7 t70 -65.69 109.38 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.98 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -104.33 -46.27 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.72 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.48 -30.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 2.89 109.251 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 92.8 96.74 1.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.87 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -179.98 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 2.18 109.33 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.14 46.59 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 1.25 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' HB ' ' A' ' 26' ' ' THR . 20.1 m -144.6 163.09 34.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.69 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -99.96 179.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.89 109.321 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.712 ' H ' HG22 ' A' ' 63' ' ' ILE . 34.5 t0 -172.73 -178.93 2.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 3.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.09 -50.8 85.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 2.97 111.024 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.03 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.65 110.984 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.93 -49.63 56.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.97 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 6.6 t80 -55.56 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 4.21 111.007 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -38.63 -51.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.45 109.316 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.4 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 96.3 m -52.55 -48.9 65.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.07 110.397 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' PHE . 10.4 tpt -51.34 -60.37 3.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 2.98 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 3.01 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.67 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -60.56 -37.33 80.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 3.15 110.274 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -47.51 -58.21 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.89 109.314 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.508 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -55.14 -42.03 72.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 3.92 110.982 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -57.75 11.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 3.43 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -54.6 -61.12 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 3.02 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 75' ' ' LYS . 12.7 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.01 110.411 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.331 -0.618 . . . . 7.11 109.331 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 59.95 18.0 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 11.01 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 63.4 38.99 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 6.95 110.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -106.04 -47.1 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 2.6 109.33 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.777 ' N ' HD13 ' A' ' 4' ' ' LEU . 13.8 t -41.94 -29.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 2.34 110.385 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 4' ' ' LEU . 27.0 tt0 -53.78 -60.22 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 2.79 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 3.8 pt-20 -68.53 -36.15 78.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 2.3 110.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 13.2 tp60 -60.82 -60.16 4.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 3.71 110.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -43.21 -39.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 2.86 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -50.8 -58.31 6.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.5 109.315 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.51 -45.73 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.97 110.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -52.61 -30.34 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 1.87 111.017 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -59.92 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 2.15 109.311 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.29 -35.82 73.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 4.04 110.322 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.803 ' HB1' ' CZ ' ' A' ' 19' ' ' PHE . . . -61.61 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.74 109.305 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 61.7 t80 -36.8 -47.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 1.74 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -43.64 -51.55 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.43 109.975 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 14.8 mt -70.66 -60.71 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.61 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.803 ' CZ ' ' HB1' ' A' ' 15' ' ' ALA . 18.6 m-30 -38.01 -38.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 3.24 110.956 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -102.78 103.34 13.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.09 109.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.812 ' CE ' HG23 ' A' ' 35' ' ' VAL . 22.7 mmtp -72.41 -61.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 2.48 109.321 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.09 -62.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 2.37 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.4 39.08 3.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.75 110.991 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.99 -36.69 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 1.42 109.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.761 ' O ' HG23 ' A' ' 26' ' ' THR . . . 130.94 39.22 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 1.13 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.3 p -161.73 120.98 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.96 110.403 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 27' ' ' ILE . 2.3 mp -81.86 79.59 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.89 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.46 ' HA ' HG23 ' A' ' 62' ' ' THR . 99.0 m -44.81 141.74 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.82 110.407 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.505 ' HA ' HG21 ' A' ' 52' ' ' ILE . 70.8 p -44.93 -51.04 10.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.58 110.364 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -58.66 -36.58 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 2.19 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.24 -28.23 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.18 110.287 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 48' ' ' LEU . 12.1 tp -69.25 -44.9 71.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 2.45 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.13 -26.57 72.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.74 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.481 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 87.0 m -66.47 -59.26 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.9 110.401 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' CE ' ' A' ' 21' ' ' LYS . 2.4 t -44.93 -55.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.14 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.845 ' HA ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 2.46 110.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 42' ' ' ASN . 26.2 mtt85 -50.08 -46.06 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 5.66 110.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -34.15 8.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.82 109.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 36' ' ' MET . 3.3 mt -69.92 -43.93 70.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 2.31 109.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 48.18 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 2.2 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -122.75 -38.59 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 0.794 . . . . 3.9 110.249 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.519 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 54.71 59.28 11.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.7 109.297 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 178.73 6.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.56 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.4 p -105.98 145.62 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.71 110.436 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.8 -19.5 65.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 2.83 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -57.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.49 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.58 -40.11 74.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 2.05 110.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.49 -27.65 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.69 109.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.71 -37.13 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.36 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.77 -34.54 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 1.69 109.25 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.85 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.56 111.011 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.808 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.65 -48.19 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.36 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.808 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -62.97 -33.81 76.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 2.02 109.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.96 -60.27 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 1.86 110.249 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 16.7 m -56.87 -44.01 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.42 109.253 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 18.9 t70 -51.2 109.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.76 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -98.64 -57.34 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.56 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -39.33 -35.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 2.11 109.311 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 60' ' ' ASP . . . 95.12 96.25 1.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.79 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -168.61 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 2.91 109.314 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.09 35.44 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.22 111.02 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.3 m -140.42 166.93 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.56 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 64' ' ' ASP . 4.7 mt -103.95 166.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.7 109.298 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.523 ' N ' HG22 ' A' ' 63' ' ' ILE . 1.5 m-20 -156.49 -175.43 5.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 3.25 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -65.67 -48.77 63.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.66 111.024 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -32.44 5.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.7 110.978 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 69.4 mt-10 -69.86 -61.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.88 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 1.4 t80 -56.88 -34.1 67.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.54 111.036 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -50.73 -56.51 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.98 109.322 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 2.2 m -60.77 -49.36 77.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.85 110.382 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 5.2 ttt -50.56 -59.92 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.28 111.042 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 2.65 110.971 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.15 -58.5 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 1.14 109.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 3.21 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -44.34 -57.92 3.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.31 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.551 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.3 OUTLIER -57.82 -39.8 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 4.15 111.049 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -60.08 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 3.67 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.18 -61.16 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 2.98 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 76' ' ' MET . 6.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 2.73 110.406 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 5.69 109.288 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -10.73 35.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 7.48 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.25 -27.54 60.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 5.6 110.326 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 162.6 -45.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 2.52 109.26 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.921 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.2 m -44.43 -25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.69 110.381 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 16.3 tt0 -60.16 -57.61 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 2.96 110.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.8 pt-20 -70.44 -28.45 65.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 2.71 110.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 4.1 tp-100 -69.67 -59.74 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 2.88 110.278 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 5' ' ' THR . 1.2 pp -55.72 -19.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 3.36 109.296 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.67 109.305 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.06 -44.22 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.05 110.276 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 1.8 m-85 -49.71 -30.16 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.73 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -60.01 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 2.17 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.21 -32.94 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 4.65 110.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.809 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -63.6 -43.77 95.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.69 109.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -39.81 -44.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.77 111.017 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 t -51.02 -50.94 57.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 1.53 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.5 -59.85 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.82 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.809 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 11.2 m-85 -42.07 -45.66 4.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 2.94 110.959 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.6 100.69 12.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HE2' HG23 ' A' ' 35' ' ' VAL . 39.1 mmtt -78.73 -54.56 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.65 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.926 ' HB2' 'CA ' ' A' ' 80' ' ' ' CA' . 2.5 m-20 -48.79 -50.67 33.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 2.36 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.74 36.61 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.081 . . . . 0.62 111.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -22.47 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.5 109.303 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.58 29.66 2.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.98 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 25' ' ' GLY . 7.2 p -154.66 126.89 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 1.19 110.402 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.484 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.8 mp -92.76 105.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.7 109.264 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 30' ' ' LYS . 5.5 m -80.38 152.96 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.66 110.393 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.699 HG22 HG12 ' A' ' 52' ' ' ILE . 43.1 p -38.08 -36.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.63 110.404 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mttt -69.92 -52.67 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 4.21 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' THR . 49.3 mt-10 -48.98 -31.61 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 2.15 110.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -71.08 -58.56 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.81 109.312 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -20.56 60.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.548 1.155 . . . . 0.6 110.982 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.568 HG23 HH21 ' A' ' 37' ' ' ARG . 27.2 m -67.63 -43.69 79.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.8 110.399 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 ' HA ' ' A' ' 19' ' ' PHE . 10.7 t -70.68 -49.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 1.38 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.0 mmm -42.26 -62.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 2.91 111.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.568 HH21 HG23 ' A' ' 34' ' ' THR . 8.2 ppt_? -60.65 -27.11 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 5.01 110.298 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.66 -21.03 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.55 110.044 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -89.37 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 2.64 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.59 -42.79 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 2.03 111.023 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -48.65 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 4.46 110.291 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m-80 -153.89 61.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 2.22 109.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.02 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.54 111.007 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.03 138.59 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.67 110.382 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.95 -20.2 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.06 110.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.12 -59.94 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.59 109.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.17 -43.94 52.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.6 110.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.8 mm? -70.53 -26.98 63.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.61 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -52.25 -37.82 56.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 1.66 110.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.63 -32.4 69.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.77 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.63 -58.69 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 2.29 111.022 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.802 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -48.92 -46.17 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.49 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.802 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.7 t-20 -64.11 -34.11 77.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.56 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -70.74 -60.04 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 2.29 110.338 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 56' ' ' ASP . 16.1 m -55.11 -50.16 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.63 109.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' HG23 ' A' ' 55' ' ' VAL . 11.7 t70 -52.58 106.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.2 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -86.1 -56.55 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.05 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -38.09 -34.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 2.17 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 89.23 86.86 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 1.53 111.017 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -151.06 -54.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 2.77 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.3 41.72 0.53 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.158 . . . . 1.33 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.0 m -147.28 155.11 41.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.56 110.378 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.949 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -87.04 163.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.7 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.564 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.0 t0 -151.64 154.19 35.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 2.86 109.322 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -49.01 -47.3 75.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 2.43 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -30.5 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.7 111.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -72.33 -60.09 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.63 110.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.9 -53.69 24.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 1.61 111.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -51.26 -45.62 62.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.85 109.286 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.419 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.6 m -64.18 -43.58 94.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.06 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.477 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 8.8 tpt -53.95 -60.42 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 3.42 111.048 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 4.05 111.044 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -47.19 -55.27 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 1.02 109.331 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.98 -32.1 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 5.19 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -58.97 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 3.07 109.285 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.655 ' HA ' HG22 ' A' ' 79' ' ' THR . 6.3 ptm -59.71 -22.25 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 3.8 111.043 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 76' ' ' MET . 2.9 ttmt -61.5 -59.99 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 3.9 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -53.48 -61.9 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 3.65 109.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 76' ' ' MET . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 2.82 110.387 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . 0.926 'CA ' ' HB2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' N ' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.265 -0.643 . . . . 6.24 109.265 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.72 25.81 5.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 8.91 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 15.2 mt-30 -125.59 1.07 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 6.63 110.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.801 HD12 ' HB3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 87.56 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 2.48 109.294 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.1 m -32.99 -52.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 2.27 110.393 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -62.15 -50.01 73.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 3.61 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 mt-10 -61.15 -60.55 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 3.62 110.255 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.801 ' HB3' HD12 ' A' ' 4' ' ' LEU . 3.8 pt20 -50.31 -49.09 54.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 6.23 110.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 69' ' ' LEU . 14.9 mm -59.27 -32.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 2.71 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -61.01 -51.37 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.71 109.267 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -47.54 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 4.19 110.323 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.96 -43.7 60.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 2.67 110.962 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -58.75 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 2.83 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.83 -40.16 76.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 3.64 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -53.13 -53.3 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.82 109.314 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ALA . 13.4 t80 -33.03 -50.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 1.82 111.01 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -46.1 -60.37 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.55 109.98 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.88 -55.87 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.79 109.324 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.798 ' CE1' ' CE2' ' A' ' 68' ' ' PHE . 16.2 t80 -39.84 -44.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 5.34 111.018 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.84 100.97 13.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 1.03 109.263 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 34' ' ' THR . 49.8 mmtt -66.34 -65.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.7 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.64 -60.03 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.58 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.68 46.48 2.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.77 110.983 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -109.1 -10.51 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 1.35 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 26' ' ' THR . . . 106.98 22.39 7.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.91 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 25' ' ' GLY . 2.4 p -154.81 134.99 13.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.14 110.392 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 19' ' ' PHE . 1.8 mp -99.22 96.53 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.65 109.362 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.3 m -58.69 156.66 10.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.55 110.388 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.523 ' HA ' HG21 ' A' ' 52' ' ' ILE . 37.0 p -51.92 -51.37 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.67 110.364 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -64.58 -31.15 72.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 2.4 109.301 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.73 -27.86 68.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 1.74 110.285 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 1.5 tt -67.21 -53.57 28.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.81 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -50.93 -31.81 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.52 111.06 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.45 HG21 ' HD2' ' A' ' 21' ' ' LYS . 86.9 m -59.74 -56.89 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.61 110.356 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.0 t -52.22 -55.62 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 1.41 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 mmt -38.0 -43.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 1.97 111.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 9.1 mtm180 -60.73 -51.02 71.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 3.5 110.235 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.85 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.81 109.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' ARG . 87.6 mt -79.46 -49.09 12.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.66 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 139.9 44.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 1.87 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.22 175.83 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 3.05 110.308 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -157.47 63.22 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.76 109.306 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.79 111.003 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.65 36.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -20.0 52.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 2.44 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.66 -59.95 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.78 109.313 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.82 -42.31 65.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 2.04 110.318 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 51' ' ' MET . 4.6 mm? -70.72 -26.75 63.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.76 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -51.89 -38.36 55.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 2.1 110.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -71.84 -32.28 67.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 2.23 109.32 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -70.36 -59.35 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 2.81 110.991 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.691 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.7 pp -46.95 -48.18 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.34 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.691 ' N ' HD12 ' A' ' 52' ' ' ILE . 34.4 t-20 -60.72 -35.58 76.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 2.13 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.14 -58.31 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 2.36 110.301 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 71' ' ' MET . 3.4 m -59.73 -26.42 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.8 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 9.5 t70 -78.07 109.24 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.97 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 58' ' ' ASP . . . -90.91 -55.65 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.62 109.292 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -35.8 -35.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.22 109.256 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . 89.39 85.46 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 1.24 110.954 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.79 -54.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 2.77 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.36 40.73 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 1.27 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.426 HG23 ' HA ' ' A' ' 28' ' ' THR . 23.1 m -145.03 162.39 37.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.57 110.459 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 10.5 mt -100.02 171.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.68 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 63' ' ' ILE . 35.4 t0 -168.19 177.95 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 2.76 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.512 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -57.6 -50.81 86.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 2.51 111.008 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -31.31 6.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.83 111.057 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 56' ' ' ASP . 56.7 mt-10 -70.6 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 2.11 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.798 ' CE2' ' CE1' ' A' ' 19' ' ' PHE . 1.1 t80 -56.54 -41.99 77.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.54 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.76 HD22 ' OE1' ' A' ' 8' ' ' GLN . 2.2 mt -39.12 -51.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 2.76 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -66.98 -40.07 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 1.04 110.378 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 55' ' ' VAL . 11.3 ttt -54.9 -59.01 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 2.95 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 11.8 mtp -60.38 -59.15 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 3.12 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.62 -57.89 3.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.19 109.249 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -60.09 -23.91 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 3.33 110.336 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -57.55 -57.75 11.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 4.17 109.304 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.726 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.9 OUTLIER -60.92 -22.39 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 3.16 111.036 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.2 OUTLIER -60.81 -60.14 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 3.13 109.304 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -53.64 -60.52 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 3.52 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 76' ' ' MET . 7.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 2.9 110.426 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.255 -0.646 . . . . 5.1 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 43.43 44.58 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 6.24 109.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -52.76 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 5.98 110.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -175.28 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 2.87 109.304 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.8 m -36.98 -35.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.73 110.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 7' ' ' GLU . 18.8 pt-20 -62.16 -55.57 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 4.16 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 pt-20 -71.15 -37.61 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 2.59 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -64.01 -54.04 40.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 3.47 110.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.79 -35.86 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 3.1 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.78 -55.55 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.5 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.03 -46.6 61.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.52 110.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.51 -38.5 44.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.82 111.031 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -49.68 -60.69 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 2.71 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.42 72.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 4.1 110.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -54.47 -50.58 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.63 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 27.8 t80 -37.46 -53.68 1.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 2.11 110.971 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' PHE . 41.5 t -38.93 -48.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.35 110.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 34.1 mt -70.39 -60.6 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.6 109.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 19.9 m-85 -43.32 -55.93 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 2.82 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 22.0 t0 -71.89 98.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.89 109.263 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -75.8 -54.07 7.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.69 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -54.92 -58.56 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 3.14 109.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.17 36.05 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.65 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 49.3 p-10 -104.92 -12.86 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 1.58 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.84 8.5 26.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 0.97 110.99 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.549 ' C ' HD12 ' A' ' 27' ' ' ILE . 1.4 p -135.87 146.9 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 1.11 110.388 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.1 mp -106.58 88.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.6 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' HG23 ' A' ' 62' ' ' THR . 23.6 m -52.98 150.14 5.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.51 110.398 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.518 ' HA ' HG21 ' A' ' 52' ' ' ILE . 71.8 p -40.16 -46.39 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.43 110.422 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.45 -42.11 88.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 2.17 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' THR . 52.2 mt-10 -55.68 -31.77 62.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 2.13 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.967 HD12 HD11 ' A' ' 63' ' ' ILE . 2.6 tt -66.21 -47.91 72.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.6 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.97 -19.18 73.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.59 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.645 HG21 ' HG3' ' A' ' 21' ' ' LYS . 63.6 m -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.84 110.427 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 36' ' ' MET . 1.8 p -72.27 -50.11 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 2.08 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.501 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 30.7 mmt -42.57 -58.84 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 2.31 110.98 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 34' ' ' THR . 6.6 ppt_? -63.46 -33.75 76.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 4.55 110.269 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -54.09 -24.93 19.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.72 110.064 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -79.11 -60.25 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 2.1 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.56 58.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 1.97 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -129.69 -41.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 3.41 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.604 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 61.29 54.97 3.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.89 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -176.96 3.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.76 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.757 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -112.42 140.77 46.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.83 110.358 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.51 -19.66 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 3.38 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 -58.97 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.46 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.48 -37.27 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.54 110.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.61 -27.67 64.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.49 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 52' ' ' ILE . 33.3 tt0 -61.06 -34.56 75.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 1.84 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.59 -34.17 67.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 2.13 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -54.57 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.63 110.99 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.815 HD13 ' O ' ' A' ' 61' ' ' GLY . 2.9 pp -51.53 -32.01 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.49 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.4 t-20 -64.02 -33.8 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 1.44 109.345 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -60.53 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 2.09 110.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 71' ' ' MET . 3.0 m -51.84 -41.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.48 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -46.44 105.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.96 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.17 -57.16 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.98 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -49.78 -32.31 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 3.13 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . 101.49 118.38 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 1.09 111.032 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 2.9 p-10 163.37 -58.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 2.74 109.321 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.815 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 135.23 -24.23 3.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 2.02 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 28' ' ' THR . 72.2 m -78.33 170.22 16.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.73 110.347 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.967 HD11 HD12 ' A' ' 32' ' ' LEU . 8.9 mt -103.43 171.19 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.67 109.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 63' ' ' ILE . 2.6 t70 -152.81 157.98 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 2.43 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -49.18 -51.41 57.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 2.34 110.996 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.639 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -29.49 8.12 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.78 110.994 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.93 -55.23 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 2.06 110.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.8 t80 -56.55 -42.71 78.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.59 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -40.75 -40.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 2.14 109.334 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.5 m -70.56 -43.77 68.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.63 110.399 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 tpt -46.38 -60.62 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 2.37 110.994 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -59.76 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.68 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.47 -57.0 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.64 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -61.02 -38.06 84.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 4.04 110.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.88 -55.93 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 2.74 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.23 -41.86 85.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 3.8 111.033 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -59.95 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 2.44 109.341 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -59.99 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 3.34 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 76' ' ' MET . 2.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 2.37 110.414 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' H1 ' ' N ' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.317 -0.623 . . . . 5.06 109.317 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.96 14.33 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 5.82 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -137.1 -51.21 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 6.86 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER 178.69 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 2.46 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -38.29 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 2.98 110.406 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.543 ' N ' ' H1 ' ' A' ' 1' ' ' ALA . 7.2 tt0 -49.13 -61.12 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 2.92 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.06 -33.78 70.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 2.5 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 12' ' ' PHE . 2.2 tp-100 -60.58 -60.47 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 3.01 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.87 -19.78 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 2.93 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -68.28 -60.55 2.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.61 109.275 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.32 -44.43 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 2.83 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-30 -49.98 -31.94 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.69 110.997 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -52.71 58.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 2.37 109.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -30.21 66.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 4.3 110.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -65.6 -42.4 91.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.13 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CD2' ' CE2' ' A' ' 65' ' ' PHE . 17.2 t80 -50.92 -38.61 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.73 110.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 2.27 110.011 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 6.8 mt -62.56 -61.11 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.98 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.988 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -48.04 -30.91 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 4.32 111.014 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 21.5 t0 -105.42 53.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 1.48 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -47.46 -45.47 25.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 2.03 109.279 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -39.83 -55.75 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 2.08 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.37 9.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.73 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -28.51 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 1.68 109.298 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' THR . . . 115.25 26.91 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.05 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.2 p -154.67 119.13 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.99 110.415 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 20' ' ' ASP . 2.2 mp -82.63 95.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.61 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.903 ' HA ' HG23 ' A' ' 62' ' ' THR . 44.9 m -64.7 146.19 55.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.54 110.35 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.0 p -41.96 -39.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.65 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -44.5 96.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.65 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 21' ' ' LYS . 46.4 mt-10 -65.23 -29.68 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.97 110.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 2.75 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -71.77 -20.48 78.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.63 110.967 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 53.9 m -70.14 -60.9 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.64 110.452 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.988 HG21 ' CD1' ' A' ' 19' ' ' PHE . 4.0 p -50.15 -37.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 1.78 109.325 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 14.9 mmt -48.68 -54.76 13.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 1.81 110.952 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 38' ' ' SER . 4.3 ppt_? -54.54 -28.75 47.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 8.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -70.92 -26.85 63.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.43 109.962 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.19 -49.28 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.79 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.07 51.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 2.48 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' C ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -166.12 135.59 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 4.31 110.305 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -127.98 68.29 75.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 2.82 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 -172.06 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 0.95 110.976 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -106.54 141.09 38.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.02 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -19.53 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 3.94 110.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . -70.02 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.69 109.356 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.43 -41.75 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 2.64 110.266 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 32' ' ' LEU . 4.3 mm? -70.45 -28.71 65.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.75 109.285 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 52' ' ' ILE . 35.9 tt0 -46.6 -40.32 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 2.08 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -72.39 -32.29 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 2.02 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.5 mmm -70.87 -55.47 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 3.55 111.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.8 pp -52.44 -33.97 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.69 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.7 t-20 -67.83 -29.7 68.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 2.3 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.26 -59.31 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.34 110.281 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' SD ' ' A' ' 71' ' ' MET . 2.2 m -57.06 -39.89 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.88 109.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.42 107.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 1.11 109.284 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -105.02 -61.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.2 109.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OE2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -40.86 -29.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 2.7 109.308 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 102.54 110.01 3.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.18 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER 167.6 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 2.86 109.322 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.52 -42.55 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 2.54 111.012 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 28' ' ' THR . 46.7 m -61.31 154.19 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.9 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 4.1 mt -90.2 160.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.97 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -143.37 -171.72 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 3.71 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.41 -48.58 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.11 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.654 ' HA ' HD23 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.01 -33.7 4.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.75 111.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 57' ' ' ALA . 67.9 mt-10 -70.42 -39.57 74.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.57 110.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 1.4 t80 -70.64 -41.97 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 4.57 110.984 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -64.01 -45.26 89.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 2.24 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -63.15 -36.46 83.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.41 110.427 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.854 ' SD ' HG12 ' A' ' 55' ' ' VAL . 7.8 tpt -56.88 -60.22 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 3.71 110.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -55.78 -57.07 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 3.42 110.989 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 76' ' ' MET . . . -49.75 -50.57 43.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.34 109.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.0 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 4.39 110.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -62.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 3.71 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.513 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -61.87 -21.4 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 5.1 111.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' MET . 3.0 ttmt -62.73 -60.03 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 3.7 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -61.61 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 4.26 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 76' ' ' MET . 14.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 4.23 110.374 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.275 -0.639 . . . . 7.83 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 1' ' ' ALA . 2.1 m-20 72.42 -54.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 7.97 109.261 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.9 mt-30 -58.64 -21.89 55.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 8.66 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -57.26 -43.47 83.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 3.22 109.281 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.2 t -59.13 -19.72 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.99 110.356 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 17.7 tt0 -59.39 -60.99 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 3.05 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 pt-20 -71.01 -28.04 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.94 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 12' ' ' PHE . 2.3 mp0 -70.81 -60.65 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 4.54 110.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.07 HG22 HD11 ' A' ' 69' ' ' LEU . 1.8 pp -52.64 -21.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 3.03 109.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.4 -61.22 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.86 109.259 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -72.17 -43.79 64.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 3.22 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.7 m-85 -49.46 -36.35 22.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 2.73 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -61.1 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.99 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -34.65 69.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.98 110.311 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.653 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -55.92 -60.31 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.24 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -42.52 -42.54 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 6.95 111.019 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.6 m -42.19 -41.48 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 3.14 110.027 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.5 mt -70.45 -46.32 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.01 109.319 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD2' HG11 ' A' ' 35' ' ' VAL . 73.7 m-85 -59.46 -37.94 79.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 2.99 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.14 100.68 9.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.48 109.338 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 34' ' ' THR . 67.9 mmtt -77.48 -58.49 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.57 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -44.32 -48.26 9.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 2.2 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.39 31.28 19.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.137 . . . . 1.29 111.024 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -102.88 -33.98 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 2.06 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.02 -19.43 3.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 1.8 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.562 ' C ' HD12 ' A' ' 27' ' ' ILE . 86.9 m -103.11 145.28 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 2.09 110.389 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.7 mp -109.06 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.67 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 30' ' ' LYS . 3.4 m -61.08 149.12 38.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.61 110.437 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.682 ' HA ' HG21 ' A' ' 52' ' ' ILE . 57.9 p -37.2 -36.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.4 110.37 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 28' ' ' THR . 14.9 mtpt -68.64 -52.42 31.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 3.69 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' THR . 35.2 mt-10 -47.05 -31.55 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.94 110.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.988 HD12 HD11 ' A' ' 63' ' ' ILE . 2.9 tt -70.99 -52.37 20.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 1.58 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -71.38 -18.74 77.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.108 . . . . 0.79 110.989 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 21' ' ' LYS . 87.8 m -68.36 -49.72 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.9 110.386 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG11 ' CD2' ' A' ' 19' ' ' PHE . 8.5 p -71.75 -52.14 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 2.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.516 ' N ' HG13 ' A' ' 35' ' ' VAL . 41.2 mmm -41.15 -60.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 2.37 111.04 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 6.3 ppt_? -60.21 -33.68 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 4.07 110.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 3.6 t -60.56 -23.15 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 2.12 110.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -89.94 41.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.94 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.63 -51.56 4.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 2.54 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 74.0 mm-40 -50.25 -178.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 3.78 110.286 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.481 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t-20 -165.82 60.84 0.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 2.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.56 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.1 p -105.66 142.54 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.84 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -19.75 38.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 3.62 110.33 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.26 -60.28 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.46 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.67 -41.3 70.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 2.19 110.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -70.89 -23.98 62.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.45 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.5 tt0 -55.49 -36.27 66.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.39 110.247 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.95 -32.03 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.9 109.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -59.4 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 2.53 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -48.42 -46.69 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.37 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.3 m-20 -58.51 -35.02 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 2.1 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.01 -60.0 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.68 110.322 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 52' ' ' ILE . 3.9 m -58.66 -28.21 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.56 109.252 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 31.9 t70 -64.93 108.48 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.97 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -102.56 -52.72 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.55 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -40.49 -30.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 2.03 109.345 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 90.31 95.47 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.9 110.992 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.11 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 2.54 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 44.08 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 1.25 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 26' ' ' THR . 22.3 m -142.96 168.74 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.74 110.425 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.988 HD11 HD12 ' A' ' 32' ' ' LEU . 5.0 mt -107.46 170.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.68 109.361 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 63' ' ' ILE . 15.4 t0 -160.63 167.65 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 2.44 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.02 -52.11 68.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.99 110.989 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.99 -28.5 9.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.64 111.017 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -70.25 -55.54 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 1.52 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.64 111.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.07 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -39.85 -46.98 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 2.8 109.282 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.1 m -64.52 -45.34 87.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.65 110.41 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.502 ' SD ' HG12 ' A' ' 55' ' ' VAL . 11.0 tpt -53.45 -60.49 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 2.7 111.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -59.23 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 2.96 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.75 -54.95 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.71 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -61.43 -32.17 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 3.28 110.262 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -60.11 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 2.15 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 1.9 ptt? -60.23 -20.1 57.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 4.78 110.954 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 76' ' ' MET . 0.0 OUTLIER -59.85 -57.59 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 2.81 109.314 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.19 -57.31 10.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 3.14 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 3.48 110.376 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.431 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.28 -0.637 . . . . 8.11 109.28 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.6 t0 78.29 -50.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 8.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 9.0 pt20 -130.5 -39.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 6.46 110.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 8' ' ' GLN . 1.2 tp -55.16 -31.57 61.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 2.89 109.314 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -48.9 -32.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.77 110.377 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.3 -43.57 85.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 2.49 110.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -44.28 71.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 3.99 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 4' ' ' LEU . 16.2 mm100 -66.93 -57.45 6.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 3.45 110.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 5' ' ' THR . 7.3 mm -41.54 -45.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 2.98 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.28 -53.5 28.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.45 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.42 -46.55 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 2.53 110.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -22.97 28.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.9 110.986 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.25 -60.13 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.28 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.02 -33.37 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 3.24 110.338 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.56 93.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.75 109.268 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 41.9 t80 -38.62 -44.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.72 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -51.17 -60.06 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 1.46 109.983 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.6 mt -52.19 -52.63 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.89 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.654 ' CD1' HG21 ' A' ' 35' ' ' VAL . 37.5 m-85 -57.0 -29.54 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.98 111.0 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 2.3 t0 -75.96 91.32 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 2.31 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.679 ' HE2' HG23 ' A' ' 35' ' ' VAL . 51.8 mmtt -91.12 19.34 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 2.72 109.269 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' HB2' 'CA ' ' A' ' 80' ' ' ' CA' . 37.4 m-20 -146.66 -51.21 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 2.34 109.309 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 41.48 6.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 0.7 111.028 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -22.22 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 1.68 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.4 8.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.85 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -144.93 130.57 18.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 1.11 110.333 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' OE2' ' A' ' 31' ' ' GLU . 18.1 mm -87.91 83.86 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 62' ' ' THR . 1.2 m -47.39 149.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.64 110.428 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.65 ' HA ' HG21 ' A' ' 52' ' ' ILE . 48.5 p -50.96 -56.09 14.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.86 110.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -26.09 68.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 2.3 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 19.5 tt0 -70.31 -33.69 71.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 2.78 110.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD13 HD12 ' A' ' 63' ' ' ILE . 1.6 tp -67.8 -38.3 83.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 2.28 109.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.23 -25.84 72.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.53 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 21' ' ' LYS . 83.6 m -61.28 -55.22 34.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.56 110.38 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.679 HG23 ' HE2' ' A' ' 21' ' ' LYS . 2.2 t -50.77 -53.52 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 1.14 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 mmt -39.87 -42.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 1.96 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -50.1 -50.17 49.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 3.85 110.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -22.51 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 1.9 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -91.89 27.36 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 2.93 109.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.33 60.95 1.88 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.149 . . . . 1.76 111.018 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.4 -43.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 3.52 110.276 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER 48.67 60.79 15.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 2.17 109.318 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.95 -174.57 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.79 110.985 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -112.17 138.57 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.64 110.451 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.28 -19.4 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.39 110.299 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.53 -50.39 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.62 109.332 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.75 -39.13 84.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 2.12 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.659 HD12 HD21 ' A' ' 32' ' ' LEU . 4.2 mm? -70.43 -22.93 62.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.6 109.255 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -55.71 -37.77 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 2.03 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -71.42 -33.38 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.99 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.6 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 3.59 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.906 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.6 pp -47.68 -48.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.46 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.906 ' N ' HD12 ' A' ' 52' ' ' ILE . 47.4 t30 -66.34 -31.07 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.94 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -59.48 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.96 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 14.8 m -59.81 -40.73 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.46 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -57.43 109.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.76 109.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 59' ' ' GLY . . . -99.67 -52.33 3.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.68 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -29.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 2.19 109.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 57' ' ' ALA . . . 89.73 114.86 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.095 . . . . 0.76 111.032 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' THR . 1.9 p30 172.03 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 2.76 109.256 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 116.29 46.62 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 1.31 111.026 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 32.2 m -152.92 158.09 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.61 110.372 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.824 HD12 HD13 ' A' ' 32' ' ' LEU . 11.8 mt -97.22 169.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.6 109.291 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' N ' HG22 ' A' ' 63' ' ' ILE . 29.6 t0 -156.9 175.44 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 2.63 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -57.86 -52.29 75.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 2.06 111.016 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.97 -31.99 5.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.58 111.042 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -56.44 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.53 110.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.36 -41.23 88.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 1.6 110.972 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -51.96 25.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.79 109.3 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -50.49 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.65 110.392 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.474 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 tmt? -47.64 -60.45 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 2.32 111.017 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.407 ' SD ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -58.01 -59.75 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 2.72 110.999 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.09 -54.57 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.91 109.276 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -41.32 96.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 4.59 110.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -42.15 -59.84 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 2.71 109.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.1 65.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 3.87 111.003 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -54.88 -57.6 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 3.02 109.319 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.34 -60.38 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 2.6 109.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 75' ' ' LYS . 43.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 3.15 110.427 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . 0.414 'CA ' ' HB2' ' A' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.281 -0.637 . . . . 4.96 109.281 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.25 13.08 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 6.96 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -141.0 -78.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 7.32 110.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 8' ' ' GLN . 2.8 pp -166.36 29.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 2.33 109.276 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.7 m -71.5 -38.02 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.84 110.397 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.19 -60.17 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 2.87 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 pt-20 -64.63 -32.85 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 2.61 110.319 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.8 ' HB2' HD12 ' A' ' 4' ' ' LEU . 3.2 tp-100 -66.51 -57.71 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 2.91 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.43 -34.92 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 2.51 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -47.83 -58.59 4.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.6 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.38 -47.04 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.31 110.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -50.35 -45.96 55.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 2.07 111.022 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.17 -60.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 2.64 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -71.21 -51.12 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 3.95 110.332 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -42.89 -46.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.8 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 62.1 t80 -35.29 -53.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.81 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' PHE . 3.2 t -38.16 -48.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.67 110.04 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.523 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 96.1 mt -70.7 -60.5 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.58 109.307 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' HA ' HG21 ' A' ' 35' ' ' VAL . 11.7 m-85 -41.94 -45.24 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 3.06 110.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -85.2 96.41 9.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 1.21 109.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 35' ' ' VAL . 69.8 mmtt -75.89 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.93 109.331 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.7 p-10 -55.25 -44.7 75.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 4.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 82.73 36.31 16.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.75 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.69 -17.96 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 2.31 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.08 -4.08 14.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.96 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 p -133.84 143.75 48.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 1.32 110.414 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.5 mp -91.74 87.06 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.76 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 1.8 m -52.14 149.74 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.46 110.444 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 61.2 p -44.64 -51.69 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.49 110.408 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -60.56 -35.77 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 2.23 109.235 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 28' ' ' THR . 62.2 mt-10 -65.78 -29.91 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.94 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.91 HD12 HD11 ' A' ' 63' ' ' ILE . 6.0 tt -63.0 -47.43 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.82 109.269 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.31 -22.59 67.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.68 111.042 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 24.3 m -61.76 -46.03 91.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.93 110.369 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 19' ' ' PHE . 23.1 t -70.9 -54.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.33 109.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.1 mmt -39.67 -60.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.76 111.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 38' ' ' SER . 1.3 ppt_? -61.84 -35.02 77.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 4.78 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 2.4 t -46.74 -25.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.35 110.026 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.02 -60.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 2.04 109.361 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.47 59.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 1.83 111.073 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -130.28 -49.17 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 3.79 110.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER 63.82 58.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.82 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.0 -177.66 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.58 110.986 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.611 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.5 137.83 41.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.402 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.72 -22.01 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 3.4 110.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.34 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.41 109.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.84 -42.83 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.48 110.294 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 44' ' ' THR . 3.9 mm? -70.35 -24.31 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.64 109.323 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 34.1 tt0 -57.22 -36.3 70.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 2.24 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -71.81 -32.79 67.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 2.02 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.0 mmm -70.29 -56.01 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 2.5 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -50.64 -37.92 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.34 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -66.23 -32.95 74.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 2.18 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -59.47 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.97 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 52' ' ' ILE . 6.3 m -55.77 -44.98 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.46 109.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 33.1 t70 -55.54 108.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.81 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.66 -44.43 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.77 109.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.3 p30 -46.76 -28.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 2.04 109.348 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' OD1' ' A' ' 60' ' ' ASP . . . 93.66 108.77 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.75 110.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER 170.24 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 2.27 109.314 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.62 41.02 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 1.21 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.7 m -139.09 165.23 27.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.62 110.412 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.91 HD11 HD12 ' A' ' 32' ' ' LEU . 1.6 mt -98.7 164.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.68 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.5 t0 -151.41 158.79 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 2.39 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -51.17 -50.14 77.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 2.22 111.013 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -28.14 9.36 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.66 110.998 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.97 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 1.59 110.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 1.52 111.01 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -49.77 -44.26 48.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 1.79 109.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -66.96 -42.67 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.76 110.383 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.62 -60.35 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 2.31 111.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -60.24 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 2.91 110.975 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' MET . . . -42.94 -57.68 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.67 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -61.07 -35.11 76.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.14 110.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -60.45 -59.16 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 2.48 109.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.626 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 ptm -60.0 -31.62 70.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 3.39 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' MET . 8.4 tttm -60.8 -59.94 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 2.61 109.319 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.6 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 3.42 109.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 76' ' ' MET . 8.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 2.03 110.441 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.283 -0.636 . . . . 7.99 109.283 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 3' ' ' GLN . 8.8 t70 -41.06 -39.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 6.12 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 2' ' ' ASP . 25.1 mt-30 -164.06 -56.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 6.22 110.3 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 176.32 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 2.15 109.314 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.3 m -56.85 -24.04 48.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.76 110.365 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 tt0 -66.19 -57.93 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 2.56 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.26 -27.16 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 2.1 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 2.73 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 5' ' ' THR . 2.3 pp -51.41 -33.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 3.37 109.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.85 -59.82 3.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.55 109.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.81 -46.16 63.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 2.4 110.276 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -50.86 -36.58 38.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.8 110.96 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -53.41 -59.3 4.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 2.14 109.288 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.32 -36.91 77.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 3.39 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.44 -46.63 88.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.65 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' ALA . 29.4 t80 -36.71 -46.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 1.7 110.989 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -46.48 -46.88 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.93 110.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 79.4 mt -69.19 -60.84 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.67 109.322 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.744 ' HD1' HG21 ' A' ' 35' ' ' VAL . 20.1 m-85 -43.59 -43.83 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 2.83 110.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.49 97.88 9.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.02 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 66.6 mmtt -77.33 -54.74 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.82 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.6 p30 -56.65 -46.1 81.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 3.91 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 80.4 40.05 13.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.81 110.948 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -106.85 -14.79 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 1.38 109.34 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 2.88 21.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.85 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 62' ' ' THR . 1.9 p -133.54 136.94 45.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 1.15 110.412 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' ILE . 1.9 mp -94.38 84.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.59 109.268 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.425 ' HA ' HG23 ' A' ' 62' ' ' THR . 53.0 m -51.21 152.26 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.62 110.434 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' HG21 ' A' ' 52' ' ' ILE . 44.2 p -50.36 -49.82 53.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.45 110.366 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.48 71.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 2.49 109.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 53.2 mt-10 -70.4 -31.61 68.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 2.16 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 48' ' ' LEU . 19.1 tp -61.35 -47.86 83.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 2.41 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -72.48 -18.96 78.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.45 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.47 HG23 HH21 ' A' ' 37' ' ' ARG . 54.6 m -69.59 -49.36 54.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.58 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.744 HG21 ' HD1' ' A' ' 19' ' ' PHE . 7.2 p -68.12 -44.7 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 1.92 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 7.0 mmt -53.22 -60.45 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 2.03 110.981 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 HH21 HG23 ' A' ' 34' ' ' THR . 7.8 ppt_? -62.19 -31.16 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.5 110.309 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -56.92 -32.3 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 2.51 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.03 -35.03 79.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.94 109.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.74 -26.72 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 1.74 110.995 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' C ' ' HA ' ' A' ' 37' ' ' ARG . 2.3 mm-40 -69.09 -173.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 2.88 110.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -168.18 58.06 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.71 109.258 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -75.04 -178.54 4.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.56 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -103.17 148.86 25.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.58 110.385 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -67.33 -19.91 65.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 3.37 110.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . -69.26 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.38 109.309 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.91 -43.86 66.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 1.74 110.294 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD12 HD21 ' A' ' 32' ' ' LEU . 4.0 mm? -71.18 -20.19 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.56 109.308 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 52' ' ' ILE . 40.3 tt0 -58.82 -36.45 74.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 1.34 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.28 -28.55 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.91 109.272 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.02 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 2.38 111.022 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.749 HG22 HD11 ' A' ' 63' ' ' ILE . 2.5 pp -48.92 -43.46 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.65 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -66.97 -32.16 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.53 109.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -58.92 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 2.01 110.316 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 56' ' ' ASP . 2.7 m -58.02 -45.71 88.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.54 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 29.3 t70 -47.36 100.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.72 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.57 -57.67 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.78 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.83 -32.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 2.53 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 105.3 116.05 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 1.72 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 163.03 -75.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 3.42 109.292 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 60' ' ' ASP . . . 151.12 -43.53 0.7 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 2.31 111.062 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.809 HG21 ' HB ' ' A' ' 26' ' ' THR . 8.4 m -58.83 172.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 1.12 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.749 HD11 HG22 ' A' ' 52' ' ' ILE . 3.2 mt -114.85 109.38 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.83 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.598 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 11.8 m-20 -83.39 -172.11 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 3.04 109.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.3 t80 -72.52 -45.52 9.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 3.31 111.006 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 64' ' ' ASP . 18.4 Cg_endo -74.93 -24.43 12.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.85 111.038 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.0 -54.81 9.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 1.83 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.461 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.1 t80 -61.91 -41.86 98.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.56 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.22 -52.29 9.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 2.82 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.1 m -63.17 -50.87 68.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.83 110.33 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -43.28 -60.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 2.33 110.992 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -56.42 -59.32 5.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 2.58 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.7 -57.91 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.79 109.273 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -60.72 -41.01 94.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 3.95 110.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -41.22 -53.38 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 2.13 109.294 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.517 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.0 OUTLIER -58.53 -42.79 88.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 4.4 111.006 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -59.8 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 3.08 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -61.36 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 2.61 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 76' ' ' MET . 5.4 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 2.51 110.403 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 5.32 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 162.39 -19.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 8.62 109.287 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.7 mt-30 78.79 44.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 7.28 110.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.804 HD13 ' C ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 175.23 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 2.09 109.276 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.2 t -70.81 -38.33 73.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 2.18 110.435 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -58.01 -51.62 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 2.88 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.0 pt-20 -67.08 -33.79 76.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 2.1 110.31 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 11.8 mm100 -70.27 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 2.88 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.04 -19.6 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 3.03 109.308 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -67.62 -60.79 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.74 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.46 -44.57 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 2.45 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m-85 -53.2 -22.61 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 2.2 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -60.88 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.88 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.11 -36.22 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 3.18 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -59.4 -40.66 87.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.85 109.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 65' ' ' PHE . 44.8 t80 -39.69 -51.24 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.77 111.02 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -44.4 3.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 1.52 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.51 -58.26 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.63 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.644 ' HA ' HG21 ' A' ' 35' ' ' VAL . 23.2 m-30 -45.95 -39.36 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 3.07 111.016 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -92.35 97.66 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.89 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.06 -59.76 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 1.6 109.283 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -45.55 -57.87 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 2.29 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 34.76 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.75 110.974 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 1.8 p30 -110.69 -41.74 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.737 . . . . 1.54 109.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' THR . . . 137.59 40.75 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 1.04 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 25' ' ' GLY . 1.1 p -162.77 137.32 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 1.08 110.403 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.634 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.6 mp -97.75 86.1 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.86 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 12.7 m -47.69 141.86 5.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.83 110.371 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.688 ' HA ' HG21 ' A' ' 52' ' ' ILE . 64.5 p -41.8 -51.42 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.55 110.399 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.39 84.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 2.42 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' THR . 39.3 mt-10 -65.2 -28.06 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 2.38 110.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -65.92 -39.62 90.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 2.23 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.61 -24.7 75.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.51 110.98 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -63.23 -51.08 67.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.66 110.402 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 19' ' ' PHE . 61.5 t -54.55 -49.93 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.31 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.7 mmt -37.75 -55.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.6 111.019 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -50.4 -46.69 56.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 3.56 110.277 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -25.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.99 109.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -87.9 -47.39 8.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.84 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' HE21 ' A' ' 41' ' ' GLN . . . 137.33 43.95 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 2.1 111.011 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.419 HE21 ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -148.9 145.74 27.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 3.56 110.292 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -125.99 71.99 69.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 2.24 109.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -74.95 174.22 13.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.63 111.036 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.556 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.3 p -97.94 145.39 26.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.81 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -19.97 65.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 3.81 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.45 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.63 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.07 -40.73 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.98 110.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' THR . 4.2 mm? -71.0 -28.75 64.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.5 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' ILE . 44.2 tt0 -49.31 -38.55 28.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 1.72 110.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -71.18 -30.18 66.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.06 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.6 mmt -70.44 -59.86 2.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 2.17 110.955 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 53' ' ' ASN . 2.9 pp -47.46 -49.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.56 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.967 ' N ' HD12 ' A' ' 52' ' ' ILE . 24.0 t-20 -65.36 -32.57 74.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 1.5 109.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.51 -60.02 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.76 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 71' ' ' MET . 22.8 m -58.04 -44.79 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.4 109.31 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.5 t0 -53.22 110.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.57 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.09 -55.11 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.55 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD1' ' OD2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -43.59 -34.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.26 109.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 98.17 107.75 2.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.9 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -170.32 -56.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 2.7 109.304 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 52' ' ' ILE . . . 120.26 30.84 1.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 1.29 110.974 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -147.77 161.56 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.91 110.405 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 52' ' ' ILE . 3.8 mt -90.65 159.7 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.81 109.263 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.8 m-20 -140.91 -173.89 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 3.61 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.91 -49.11 10.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 2.04 110.986 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.01 -29.45 8.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.58 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -70.29 -60.14 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 1.9 110.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 2.1 t80 -56.25 -36.69 68.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.6 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -46.75 -50.28 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 1.7 109.292 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -70.4 -48.61 55.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 1.05 110.366 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.445 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -43.13 -59.8 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 2.9 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -56.43 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 2.82 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.35 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.99 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -60.88 -38.68 86.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 3.64 110.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -58.49 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 3.38 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -43.76 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 4.77 111.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -52.33 66.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 2.44 109.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -58.73 7.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 2.56 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 3.49 110.394 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_