data_1l6v_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 1l6v _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.385 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.41 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.874 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.874 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.637 ' O ' ' CG2' ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.491 ' N ' ' CG2' ' A' ' 20' ' ' THR . 14.9 t -175.64 137.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.362 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.355 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 19' ' ' LEU . 1.1 tm? -39.98 153.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 40' ' ' ILE . 19.9 t70 -38.34 -59.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.499 ' C ' ' O ' ' A' ' 39' ' ' ASP . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 4 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.586 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 49' ' ' THR . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 p -113.51 -171.36 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 p -134.05 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.383 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 ' HA ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.383 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' A' ' 60' ' ' GLU . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -44.01 -23.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.39 -72.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 61' ' ' GLN . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 50' ' ' LEU . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 95' ' ' CYS . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.531 ' SD ' ' CG1' ' A' ' 105' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.6 m -105.9 109.26 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.363 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -122.69 163.07 20.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' A' ' 96' ' ' LEU . 2.5 pp -135.94 166.39 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -118.19 157.51 26.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG12 ' CE1' ' A' ' 11' ' ' PHE . 53.6 t -150.98 148.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.416 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 14.6 m170 -115.9 110.99 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.619 1.199 . . . . 0.0 109.567 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CG ' ' CG2' ' A' ' 105' ' ' VAL . 28.4 m-85 -94.41 127.3 40.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mt -98.56 135.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.4 1.062 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -91.74 -165.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.59 39.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -157.97 -39.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.07 14.54 4.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.399 1.062 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.7 mt-10 -82.69 70.65 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 0.816 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.6 m -36.48 120.38 0.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' CG ' HD13 ' A' ' 38' ' ' LEU . 2.7 mm? -83.12 -46.16 13.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 33.5 m 66.91 136.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.393 1.058 . . . . 0.0 110.52 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.425 HG21 ' CD1' ' A' ' 11' ' ' PHE . 4.0 t -157.81 152.04 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.374 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -93.88 142.9 26.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -128.1 173.47 18.94 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.55 1.156 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -120.85 129.35 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.399 0.705 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 5' ' ' ASP . 1.8 tt -56.86 110.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.19 19.92 11.04 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.412 1.07 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.2 OUTLIER -54.84 172.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.9 172.06 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.898 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 mp 51.97 61.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.187 . . . . 0.0 109.382 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 4.0 mm? 63.93 -82.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 52.36 -163.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' VAL . 92.9 t 48.88 -90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -39.72 -45.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 50.4 t -79.17 -51.67 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.591 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 42.1 t-20 -110.48 -31.26 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 34.7 t30 88.85 32.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.386 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -32.56 133.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.198 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' HD12 ' A' ' 38' ' ' LEU . 60.4 t0 -74.94 67.32 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 38' ' ' LEU . 14.5 mt -143.42 92.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -58.14 156.51 9.51 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.589 1.181 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.48 -28.19 7.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 21.9 p90 -37.32 101.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 43' ' ' PHE . . . 49.95 176.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.281 . . 154.76 -172.6 0.0 OUTLIER 'General case' 1 CA--C 1.676 5.791 1 N-CA-C 66.112 -16.625 . . . . 0.0 66.112 179.92 . . . . . . . . 4 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' N ' ' A' ' 50' ' ' LEU 0.42 8.1 p 18.72 172.58 0.0 OUTLIER 'General case' 2 C--N 1.001 -14.56 3 N-CA-C 66.398 -16.519 . . . . 0.0 66.398 -141.678 . . . . . . . . 5 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 48' ' ' GLY . 72.7 mt-10 -63.93 66.21 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.686 3 C-N-CA 171.745 20.018 . . . . 0.0 110.274 133.553 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 31.36 48.22 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.605 1.19 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.57 8.55 8.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.475 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.54 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 14.1 mt 56.16 110.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LEU . . . 166.13 -30.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 53' ' ' SER . 27.6 p -78.8 -44.84 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.527 ' O ' ' CG2' ' A' ' 54' ' ' THR . 22.5 p 59.59 75.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 53' ' ' SER . 3.9 p -160.55 -36.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 54' ' ' THR . 25.4 p -56.0 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 108.262 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.409 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER 73.89 153.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.601 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -167.11 163.89 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -78.68 116.24 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.589 ' CD1' HG13 ' A' ' 105' ' ' VAL . 8.3 m-85 -117.27 141.87 47.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PHE . 5.3 mm-40 -30.15 112.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 5.6 pt20 -48.18 -43.78 32.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 51.5 t60 -61.13 -9.76 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 42.6 mm -103.99 -43.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.552 1.157 . . . . 0.0 109.352 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 88' ' ' SER . 18.3 t80 -81.3 -65.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.38 1.05 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm-40 -27.46 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -79.23 55.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -173.1 150.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' N ' HD11 ' A' ' 67' ' ' LEU . 2.3 mt-10 -44.01 116.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -88.95 -174.24 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER 47.49 -173.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.537 ' HB ' ' CA ' ' A' ' 75' ' ' ASN . 44.4 m -125.37 175.26 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 74' ' ' GLU . 2.1 t70 -42.69 -64.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -78.83 36.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.699 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 19.1 mm-40 60.51 42.59 14.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.699 ' CB ' ' O ' ' A' ' 74' ' ' GLU . 12.2 p-10 103.91 33.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 73' ' ' GLU . 7.3 t0 -38.24 -67.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 111.027 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-20 67.66 3.47 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -174.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.617 ' OG ' ' CD2' ' A' ' 56' ' ' HIS . 32.8 t -70.97 164.39 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -166.7 164.91 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.486 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 11.9 tp -58.95 152.57 19.33 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.54 68.86 0.5 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.497 1.123 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 1.2 p -174.96 -44.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -90.37 -47.09 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.217 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.476 HG23 ' CZ ' ' A' ' 89' ' ' ARG . 1.5 pp -72.75 104.04 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 22.4 m -55.53 160.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.178 . . . . 0.0 108.254 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 11.4 mt -57.5 172.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 m -155.4 167.48 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 63' ' ' ILE . . . -61.95 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.8 mtt -94.95 -4.31 46.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 28.2 t70 -51.57 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 32.7 t30 82.85 41.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -91.8 149.12 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 58' ' ' ILE . 29.5 m -96.32 105.45 17.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 110.319 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 59' ' ' PHE . 16.7 m -92.29 120.04 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -124.9 136.19 53.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.62 132.98 23.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -7.73 19.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.577 1.83 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.22 119.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.368 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -127.78 163.24 24.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 96' ' ' LEU . 9.2 pt -140.29 137.28 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -83.85 152.3 24.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 103' ' ' MET . 2.5 t -147.0 156.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.391 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 16.0 t-160 -123.37 123.53 40.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 49.1 m-85 -112.25 90.88 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.53 HG12 ' CE1' ' A' ' 10' ' ' HIS . 48.2 mt -61.88 118.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.603 1.189 . . . . 0.0 109.4 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -69.65 167.26 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -52.38 -32.65 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.662 1.226 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -34.03 16.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.87 7.17 8.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' THR . 63.4 mt-10 -68.44 75.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.593 HG22 ' CD2' ' A' ' 10' ' ' HIS . 26.9 m -28.79 126.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -93.55 -53.53 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m 63.38 131.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' CG1' ' A' ' 32' ' ' VAL . 2.8 t -156.01 154.6 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.36 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -101.21 122.57 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -102.01 173.87 23.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.384 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -117.19 140.73 49.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 0.783 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.8 tt -66.82 111.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 112.62 4.51 24.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -44.45 166.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 83.7 p -118.64 -168.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 pp -38.37 129.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 45.28 -100.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.201 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 65.9 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 21' ' ' THR . 35.1 t -33.6 -38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' ASN . 80.8 t -62.25 -60.17 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ASN . 22.6 t -75.03 -54.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.067 . . . . 0.0 109.182 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.71 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.348 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 17.1 t-20 -110.61 -27.54 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 82.47 17.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 4.7 tp -41.2 159.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.71 62.1 0.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 1.4 pt -89.26 85.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -46.25 116.16 1.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.551 1.157 . . . . 0.0 109.229 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.09 24.0 7.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 25.2 p90 -38.78 155.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 54' ' ' THR . . . -49.58 102.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.346 . . -62.63 -167.86 0.02 OUTLIER 'General case' 1 CA--C 1.66 5.191 1 N-CA-C 71.404 -14.665 . . . . 0.0 71.404 179.913 . . . . . . . . 4 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 50' ' ' LEU 0.417 8.3 p -0.77 172.61 0.0 OUTLIER 'General case' 2 C--N 1.049 -12.49 2 N-CA-C 66.431 -16.507 . . . . 0.0 66.431 -141.75 . . . . . . . . 5 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.9 mt-10 -49.6 -6.51 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.678 3 C-N-CA 171.661 19.984 . . . . 0.0 110.33 134.074 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 115.47 179.0 18.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.571 1.169 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 48' ' ' GLY . 56.7 m 73.0 35.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 0.718 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.602 ' CG ' ' H ' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -147.5 -137.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.602 ' H ' ' CG ' ' A' ' 50' ' ' LEU . . . -160.63 30.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 51' ' ' ALA . 4.3 p -58.79 -116.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 0.0 108.238 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 52' ' ' CYS . 35.1 m -174.36 30.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.414 ' CB ' ' HA2' ' A' ' 44' ' ' GLY . 1.2 p -110.81 -11.89 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.899 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 19.9 p -109.71 -11.08 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.391 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 15.4 t-160 -36.39 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.08 . . . . 0.0 109.535 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.2 mp 50.79 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -103.16 111.76 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.428 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -112.05 128.35 56.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.11 146.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.41 1.068 . . . . 0.0 110.326 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.45 -12.51 53.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.409 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 45.5 t-80 -78.35 -5.12 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.0 mm -123.59 -48.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -54.4 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -48.39 -21.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.384 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -85.73 45.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -151.28 83.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -83.63 69.22 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.07 137.83 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.541 HG12 ' CA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -140.12 -164.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.552 ' OG1' ' CA ' ' A' ' 76' ' ' ASP . 33.0 m -112.27 177.82 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.8 t70 -47.52 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -82.48 30.24 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.541 ' CA ' HG12 ' A' ' 70' ' ' ILE . 10.7 mt-10 51.63 34.62 13.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.602 1.189 . . . . 0.0 110.366 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -86.31 -81.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.6 1.188 . . . . 0.0 109.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.552 ' CA ' ' OG1' ' A' ' 71' ' ' THR . 16.3 t70 46.61 64.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.464 ' CB ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -15.01 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -137.75 69.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 57' ' ' LEU . 33.0 t -173.21 140.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.922 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.348 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.52 ' CD2' ' CD ' ' A' ' 93' ' ' GLN . 0.4 OUTLIER -169.68 143.85 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.33 28.39 0.56 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.899 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 6.2 p -100.36 -46.49 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.52 ' CD ' ' CD2' ' A' ' 90' ' ' LEU . 7.3 pt20 -76.96 54.2 1.0 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.427 1.079 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.5 tp -164.48 164.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 p -102.12 168.47 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 108.21 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 7.1 mt -66.06 162.91 18.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.369 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 6.3 m -156.08 170.12 22.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.397 1.061 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -76.97 -42.81 37.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.08 -20.66 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.609 ' O ' ' C ' ' A' ' 101' ' ' ASP . 4.1 mtp -90.84 -50.33 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.609 ' C ' ' O ' ' A' ' 100' ' ' MET . 57.0 t0 -22.1 115.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.448 1.092 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.3 t-20 88.14 29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 103' ' ' MET . 10.8 ptm -89.69 123.95 34.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 10' ' ' HIS . 87.5 m -93.17 98.05 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.7 m -94.47 128.53 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 1.1 ttt85 -125.9 135.39 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -80.48 144.03 56.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.1 Cg_endo -75.06 177.05 9.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.5 t0 177.69 91.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.385 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.41 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.874 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.874 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.637 ' O ' ' CG2' ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.491 ' N ' ' CG2' ' A' ' 20' ' ' THR . 14.9 t -175.62 137.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.362 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.355 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 19' ' ' LEU . 1.1 tm? -39.98 154.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 40' ' ' ILE . 19.8 t70 -38.39 -59.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.499 ' C ' ' O ' ' A' ' 39' ' ' ASP . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 4 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.586 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 49' ' ' THR . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 p -113.5 -171.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 p -134.07 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.383 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 ' HA ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.383 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' A' ' 60' ' ' GLU . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -43.96 -23.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.41 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 61' ' ' GLN . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 50' ' ' LEU . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 95' ' ' CYS . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.531 ' SD ' ' CG1' ' A' ' 105' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.6 m -105.91 109.28 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.385 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -99.69 167.05 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.78 166.61 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.2 m -114.96 165.73 12.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.473 HG23 ' CE ' ' A' ' 103' ' ' MET . 7.7 t -152.0 155.44 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.415 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 18.1 m80 -131.43 114.16 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.562 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 40' ' ' ILE . 62.5 t80 -102.68 115.8 31.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD11 ' CG2' ' A' ' 104' ' ' THR . 16.4 mt -82.23 109.48 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.54 159.36 8.43 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.359 1.037 . . . . 0.0 109.333 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -52.88 -24.97 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.84 -24.79 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.43 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.22 16.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.636 1.21 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' THR . 18.9 mt-10 -79.0 70.56 5.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.456 0.739 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.9 m -34.39 126.95 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.07 -51.93 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.425 ' OG1' ' CD2' ' A' ' 10' ' ' HIS . 2.1 m 63.7 137.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.458 ' CG2' HG11 ' A' ' 32' ' ' VAL . 14.7 t -161.03 150.52 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.389 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -86.0 150.43 24.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -138.43 158.39 24.91 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.612 1.195 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.41 117.36 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.37 14.05 15.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -107.65 145.15 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.4 p -100.18 156.62 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.13 -49.86 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HG ' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -55.73 -42.69 75.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 35' ' ' GLN . 65.3 m-20 -65.05 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG11 ' CG2' ' A' ' 21' ' ' THR . 88.0 t -37.34 -48.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 40' ' ' ILE . 41.6 t -61.54 -72.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.3 t -46.23 -30.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.064 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.3 mt-30 -55.41 -29.41 58.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -128.03 4.98 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' VAL . 8.8 m-20 63.27 28.07 15.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD21 ' CG ' ' A' ' 11' ' ' PHE . 8.7 tt -41.15 157.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.193 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -92.1 59.32 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.572 HG13 ' CE1' ' A' ' 11' ' ' PHE . 18.6 tt -73.63 82.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -48.7 105.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.96 -60.34 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.581 1.175 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 54.0 t80 55.48 163.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.666 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -72.09 130.19 16.19 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.301 . . -101.32 -170.55 1.85 Allowed 'General case' 1 CA--C 1.669 5.551 1 N-CA-C 67.948 -15.945 . . . . 0.0 67.948 -179.977 . . . . . . . . 5 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p 9.71 5.72 0.0 OUTLIER 'General case' 1 C--N 1.019 -13.799 1 C-N-CA 153.747 12.819 . . . . 0.0 113.383 -140.923 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER 55.9 65.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.064 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 34.66 80.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -156.09 18.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 0.781 . . . . 0.0 110.414 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' THR . 37.6 mt 46.33 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.38 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.4 p -71.35 -41.7 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 p 60.38 42.87 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.915 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -117.94 -28.94 5.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -62.69 134.85 56.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.219 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.386 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -176.62 117.05 0.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 106' ' ' ARG . 1.6 mm? -128.95 164.21 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -99.45 106.37 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' ARG . 7.8 m-85 -104.13 134.15 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.4 mt-10 -38.7 119.88 0.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.523 1.139 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 21.6 pt20 -50.31 -26.39 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.389 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 56.9 t-80 -63.92 -9.99 18.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.544 1.153 . . . . 0.0 109.649 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.1 mt -112.81 -49.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 9.8 t80 -71.89 -57.12 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.03 -26.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.382 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -59.28 -16.59 22.49 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 109.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ALA . 1.8 mm? -116.73 66.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.407 1.067 . . . . 0.0 109.384 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 72.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -155.59 104.27 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' C ' ' OG1' ' A' ' 71' ' ' THR . 5.1 tt -174.96 130.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' GLU . 7.2 m -156.15 172.56 18.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -37.11 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' THR . 1.3 tt0 -78.57 -68.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -40.53 -51.45 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' MET . 1.6 m-20 -42.82 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 73' ' ' GLU . 1.2 m-20 43.58 -90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 75' ' ' ASN . 18.0 tpp . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -120.1 -2.32 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.381 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -135.14 50.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.237 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.7 t -150.28 121.03 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -132.21 145.92 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' CD2' ' SG ' ' A' ' 92' ' ' CYS . 0.7 OUTLIER -44.45 119.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.215 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.37 93.79 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.433 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.9 p 177.1 -37.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -56.76 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.8 tp -42.36 122.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.27 166.84 17.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 108.408 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 10.3 mt -65.01 158.38 25.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 96' ' ' LEU . 9.5 m -158.0 170.82 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.367 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -83.59 51.38 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.89 -42.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.5 mtt -83.68 22.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -72.48 109.86 6.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.1 m-20 84.04 17.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.473 ' CE ' HG23 ' A' ' 9' ' ' VAL . 11.5 ptt? -60.72 133.3 55.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.402 ' CG2' HD11 ' A' ' 12' ' ' ILE . 49.6 m -94.99 94.05 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 103' ' ' MET . 34.9 m -90.64 125.24 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.501 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 2.5 ttm180 -120.61 135.69 55.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 5.7 p -97.28 138.49 21.19 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.5 Cg_endo -75.01 -175.42 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.378 1.725 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.42 84.97 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.174 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -113.96 167.94 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 109.371 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 8' ' ' THR . 1.6 pp -135.52 -170.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 93.9 m -143.54 156.11 44.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 10' ' ' HIS . 53.4 t -140.69 166.96 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.419 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 23.5 m-70 -140.98 102.21 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 109.556 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 16.9 t80 -91.68 116.41 28.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.72 99.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.378 1.049 . . . . 0.0 109.346 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.27 163.44 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -51.52 -31.89 25.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.3 -27.6 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.29 9.67 33.31 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.4 mm-40 -75.52 70.0 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 17' ' ' GLU . 2.1 m -30.8 123.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.577 HD22 ' CD2' ' A' ' 11' ' ' PHE . 3.6 mm? -89.69 -48.86 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.9 m 65.36 141.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 t -157.11 161.19 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -123.48 121.8 36.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -114.63 -165.87 15.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -128.35 143.96 51.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 tt -57.65 99.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.16 -6.21 6.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 121.3 15.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -134.76 -172.35 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 0.0 109.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.02 34.1 24.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.95 63.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 32' ' ' VAL . 29.7 t0 -101.66 -56.58 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 1.5 p -31.44 -50.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.506 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 2.6 t -67.48 -70.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -38.95 -52.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.7 mt-30 -37.84 -41.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -99.48 -23.47 15.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.2 t30 83.24 36.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.597 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 4.7 tt -46.51 170.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.33 61.34 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.562 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.6 tt -93.28 63.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ILE . 34.7 t70 38.08 66.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.357 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 64.09 62.82 4.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 34' ' ' VAL . 17.2 p90 -28.37 134.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.783 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.732 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 53.05 66.34 2.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.669 ' C ' ' HG ' ' A' ' 52' ' ' CYS 0.39 . . -58.46 -165.81 0.0 OUTLIER 'General case' 1 CA--C 1.648 4.726 1 N-CA-C 74.847 -13.39 . . . . 0.0 74.847 179.871 . . . . . . . . 5 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.732 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.418 8.1 p -9.49 172.59 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.233 2 N-CA-C 66.368 -16.531 . . . . 0.0 66.368 -143.382 . . . . . . . . 5 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -51.89 9.05 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.671 3 C-N-CA 171.721 20.008 . . . . 0.0 110.195 134.406 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.495 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 98.99 111.99 3.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.533 ' CB ' HD22 ' A' ' 50' ' ' LEU . 17.1 m -152.91 -50.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.739 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -175.26 -70.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.561 ' H ' HD23 ' A' ' 50' ' ' LEU . . . -71.92 -106.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.669 ' HG ' ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 32.06 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.46 ' O ' ' CG2' ' A' ' 54' ' ' THR . 0.7 OUTLIER -80.2 63.85 4.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 53' ' ' SER . 1.7 p -158.97 43.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.484 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -126.25 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 108.245 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.388 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -88.95 -76.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' HG ' ' CG2' ' A' ' 107' ' ' VAL . 0.2 OUTLIER 80.08 -179.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.695 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -45.32 120.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -83.58 171.68 13.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -73.25 3.71 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.7 tt0 84.18 -51.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.412 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 11.9 t-160 -65.03 -2.96 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.559 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.575 HG22 ' CE1' ' A' ' 59' ' ' PHE . 10.2 mm -101.16 -47.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.4 t80 -95.82 -52.3 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.64 -25.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -81.15 47.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD21 ' CD1' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -166.63 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.65 65.77 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 67' ' ' LEU . . . -163.1 128.58 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.396 1.06 . . . . 0.0 109.271 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' OG1' ' A' ' 71' ' ' THR . 8.5 tt -173.73 130.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.6 m -157.09 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.86 -31.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -75.37 -64.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -48.57 -53.65 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 77' ' ' MET . 5.2 m120 -38.16 -61.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 73' ' ' GLU . 16.4 m-20 44.86 -94.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.545 ' CG ' ' HA ' ' A' ' 50' ' ' LEU . 2.3 mpp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.49 4.35 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 59' ' ' PHE . 3.2 ptt180 -128.15 51.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -156.49 133.73 10.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.33 93.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.02 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.601 1.188 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 90' ' ' LEU . . . 30.79 72.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.495 ' SG ' ' HA2' ' A' ' 48' ' ' GLY . 15.1 p -81.45 66.26 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -162.77 32.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.92 148.65 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.23 153.71 21.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -55.27 171.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.4 m -148.19 174.31 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -79.69 -38.56 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -61.24 -33.33 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.415 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 47.5 mtt -76.45 3.16 11.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 46.3 t0 -61.76 104.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 7.9 t-20 90.54 33.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.464 ' HG2' ' CG2' ' A' ' 9' ' ' VAL . 4.4 ptt? -76.54 127.73 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 89.0 m -97.35 93.54 6.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.243 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.695 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 15.7 m -87.41 133.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -127.66 110.97 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.49 ' CG2' ' HG ' ' A' ' 57' ' ' LEU . 4.5 t -55.16 108.73 1.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.661 1.225 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.566 1.824 . . . . 0.0 111.033 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' ALA . 0.3 OUTLIER 173.26 43.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 109' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 1.1 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.375 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -129.45 162.83 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 pt -128.98 169.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.1 m -113.12 168.04 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.648 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 2.3 t -160.88 153.13 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.414 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 10.9 m-70 -126.51 114.85 18.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.358 1.036 . . . . 0.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 69.0 m-85 -102.5 127.06 49.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 106' ' ' ARG . 23.5 mt -95.26 129.05 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -83.46 -169.08 2.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -86.11 45.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -164.28 -39.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.81 17.4 3.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.1 mm-40 -87.25 71.67 10.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.4 m -36.23 118.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.452 ' CB ' HD12 ' A' ' 38' ' ' LEU . 2.7 mm? -82.37 -46.4 13.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m 65.39 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -171.22 152.81 3.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.387 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -91.82 148.56 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -133.42 170.25 22.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -117.28 133.97 55.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 0.771 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 5' ' ' ASP . 4.5 tt -60.68 110.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 11.57 20.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.44 172.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.3 p -179.91 163.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' LEU . 4.5 mm? 60.56 44.13 12.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 109.218 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.6 mp 39.32 76.37 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.567 1.167 . . . . 0.0 109.218 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.616 ' O ' ' C ' ' A' ' 32' ' ' VAL . 21.2 t0 -98.62 -60.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 31' ' ' ASP . 69.4 t -21.71 -65.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 40' ' ' ILE . 1.8 p -42.65 -72.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 35' ' ' GLN . 45.3 t -53.17 -43.84 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.625 1.203 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -30.0 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 6.8 t30 -116.8 -16.53 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 27.2 t30 82.0 30.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -46.51 171.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.47 -57.24 4.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 33' ' ' VAL . 40.2 mm 52.43 -108.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 43' ' ' PHE . 8.7 t70 178.11 174.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.43 53.91 1.54 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 41' ' ' ASP . 15.8 m-30 -107.47 -168.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.603 0.825 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.848 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . 68.15 47.49 58.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.848 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.33 . . -92.06 -168.88 2.1 Favored 'General case' 1 CA--C 1.664 5.329 1 N-CA-C 70.023 -15.177 . . . . 0.0 70.023 179.971 . . . . . . . . 5 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 3.24 172.55 0.0 OUTLIER 'General case' 2 C--N 1.036 -13.055 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -141.283 . . . . . . . . 5 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.71 -26.11 0.11 Allowed 'General case' 1 C--N 1.021 -13.708 3 C-N-CA 171.63 19.972 . . . . 0.0 110.305 133.868 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 92' ' ' CYS . . . 138.46 2.3 2.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.458 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 18.8 m -36.11 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 0.74 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER 84.56 122.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' LEU . . . 87.93 36.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -68.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.579 1.174 . . . . 0.0 108.382 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -115.67 -169.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.994 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 43' ' ' PHE . 53.0 p -64.49 -115.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 7.1 m 83.69 42.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.388 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 6.5 t-160 -118.34 119.03 33.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.539 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mp -142.08 157.81 44.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.744 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 0.1 OUTLIER -71.43 150.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 10.5 m-85 -140.3 137.54 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 44.6 mt-10 -42.26 123.99 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.8 tt0 -55.0 -33.16 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.389 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 57.6 t-80 -88.83 22.7 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' CB ' ' A' ' 99' ' ' ALA . 27.9 mm -127.73 -52.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -90.51 -58.31 2.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -41.35 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.374 1.046 . . . . 0.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.339 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -77.0 42.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -150.66 157.77 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -116.08 75.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.65 130.37 4.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.395 1.059 . . . . 0.0 109.201 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.791 ' CG1' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tt -173.45 -175.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.667 ' O ' ' C ' ' A' ' 72' ' ' ASP . 30.8 m -122.07 -172.33 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.667 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -14.39 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -150.45 48.25 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.791 ' HA ' ' CG1' ' A' ' 70' ' ' ILE . 1.1 pt-20 91.84 30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 17.8 t-20 -82.56 -94.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.587 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.4 OUTLIER 36.39 32.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.237 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.587 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 6.6 tpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' ARG . 87.0 m . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -38.92 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 88' ' ' SER . 0.2 OUTLIER 172.55 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER 56.32 145.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -163.39 -155.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.36 144.13 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.61 58.43 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.444 1.09 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.603 ' HB3' ' CA ' ' A' ' 48' ' ' GLY . 30.9 m -144.0 161.77 37.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER 36.73 32.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.218 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 92' ' ' CYS . 1.1 pt -129.43 86.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 19.5 m -50.62 162.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 108.359 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.545 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -68.28 167.54 14.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 96' ' ' LEU . 51.1 m -158.14 174.12 15.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.495 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.347 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -71.67 -20.78 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.496 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -69.25 -46.3 67.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.1 mtt -78.76 3.9 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 45.3 t0 -59.4 95.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.4 t30 75.54 49.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.471 ' SD ' ' CE2' ' A' ' 59' ' ' PHE . 9.7 ptt? -98.7 145.35 26.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 61.3 m -96.33 97.35 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.511 HG22 ' CE2' ' A' ' 11' ' ' PHE . 24.2 m -94.48 135.76 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 2.8 tmt_? -136.4 144.93 44.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 p -116.8 130.11 24.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -88.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.597 1.841 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -161.45 147.66 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.396 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.35 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -120.66 161.97 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 96' ' ' LEU . 2.8 pt -125.84 -161.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.416 1.073 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -145.7 156.69 43.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' A' ' 103' ' ' MET . 68.9 t -150.67 130.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.404 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 0.2 OUTLIER -103.83 108.85 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.696 ' CE2' ' CD2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -86.99 77.15 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.328 1.017 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 29.0 mt -44.5 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.788 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 t-20 -63.01 -151.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HD3' ' CG1' ' A' ' 107' ' ' VAL . 45.6 mmm-85 -117.58 -33.72 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -73.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.66 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -111.6 -10.61 18.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.788 ' HA ' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 40.89 110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 0.0 110.374 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.67 ' CB ' ' O ' ' A' ' 17' ' ' GLU . 1.2 m 152.42 26.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 110.386 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -35.8 -60.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 10' ' ' HIS . 13.0 m 65.26 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.488 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 8.3 t -141.86 146.97 36.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.359 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -91.61 128.37 37.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.509 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -114.61 176.98 17.26 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -122.89 142.4 50.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.398 0.705 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.1 tt -68.46 105.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 129.29 -5.55 6.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -46.4 172.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.66 172.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER 41.09 54.01 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.5 mm? 58.62 114.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.4 t0 -147.98 -153.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER 38.09 -89.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.608 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -49.8 -46.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ASN . 98.9 t -73.67 -59.13 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 32' ' ' VAL . 1.1 pt20 -46.13 -35.98 5.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.623 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 4.3 t-20 -78.71 -32.65 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.623 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.6 t30 94.12 10.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -41.05 161.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.47 71.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 1.5 pp -67.25 90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -88.41 89.84 8.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.13 -37.98 3.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 20.1 m-85 -47.88 109.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 30' ' ' LEU . . . 62.95 153.25 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.316 . . 177.56 -169.6 0.08 Allowed 'General case' 1 CA--C 1.667 5.461 1 N-CA-C 68.975 -15.565 . . . . 0.0 68.975 -179.987 . . . . . . . . 4 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 48' ' ' GLY 0.419 8.1 p 6.22 172.53 0.0 OUTLIER 'General case' 2 C--N 1.028 -13.413 2 N-CA-C 66.39 -16.522 . . . . 0.0 66.39 -140.98 . . . . . . . . 5 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.74 66.78 0.09 Allowed 'General case' 1 C--N 1.021 -13.714 3 C-N-CA 171.564 19.946 . . . . 0.0 110.328 133.808 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.727 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . 124.02 162.02 11.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.588 ' C ' ' CD2' ' A' ' 50' ' ' LEU . 4.6 t -83.95 121.12 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 171.14 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.383 1.052 . . . . 0.0 109.246 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -86.25 -97.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.556 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.8 p -29.79 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 108.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.671 ' N ' ' O ' ' A' ' 51' ' ' ALA . 34.3 p 42.04 66.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.6 OUTLIER -166.19 -93.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 1.092 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.4 p 38.12 31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.398 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 7.3 p80 -75.65 -172.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.688 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.547 ' CD1' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER 163.96 166.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.218 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -92.06 107.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.231 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.649 ' HB3' ' CG ' ' A' ' 64' ' ' PHE . 1.1 t80 -110.09 143.7 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -42.08 118.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -51.84 -19.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.414 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 9.0 t60 -79.87 4.49 16.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.4 mt -126.97 -50.42 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.649 ' CG ' ' HB3' ' A' ' 59' ' ' PHE . 2.3 m-30 -80.15 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.86 -24.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.354 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -60.95 -22.18 64.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm? -49.74 159.37 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 65.78 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 70.03 173.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 tt -143.09 113.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 m -119.36 175.18 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -23.48 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -39.65 16.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.76 -38.47 64.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.63 1.206 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -89.57 25.34 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.629 ' O ' ' CB ' ' A' ' 77' ' ' MET . 11.8 t70 -69.91 112.88 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.629 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.1 tpt . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.411 1.069 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.62 14.44 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -135.47 46.9 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 57' ' ' LEU . 7.0 t -163.12 143.44 9.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.619 ' HG3' ' CE2' ' A' ' 64' ' ' PHE . 0.3 OUTLIER 174.81 140.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 49' ' ' THR . 6.8 tt -37.31 141.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.16 121.11 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 1.092 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -156.23 -45.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' A' ' 49' ' ' THR . 67.8 mt-30 -83.43 -18.47 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 1.1 tp -63.33 95.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.3 p -44.8 165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 108.255 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.509 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 8.0 mt -67.76 169.05 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.431 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 5.3 m -157.86 177.41 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.37 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -74.9 -54.59 6.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.31 -22.98 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.501 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 33.3 mtt -85.67 -1.84 57.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.9 t0 -69.49 112.32 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 3.6 m120 83.5 19.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.606 ' CG ' ' O ' ' A' ' 103' ' ' MET . 2.6 ptt? -63.26 106.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.487 HG23 ' CD1' ' A' ' 12' ' ' ILE . 37.9 m -78.15 83.24 4.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.595 ' CG2' ' CD1' ' A' ' 11' ' ' PHE . 8.1 m -74.81 130.45 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.517 ' N ' HD21 ' A' ' 57' ' ' LEU . 16.7 ttt180 -129.72 131.88 46.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.433 ' N ' HD22 ' A' ' 57' ' ' LEU . 8.7 p -71.75 139.54 83.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.4 Cg_endo -74.97 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.634 1.86 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 t70 179.16 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . 48.89 176.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.488 HD12 ' CD2' ' A' ' 96' ' ' LEU . 41.7 pt -142.4 -170.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' ASN . 2.7 m -141.71 149.77 40.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 11' ' ' PHE . 61.7 t -142.88 144.96 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.398 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 26.1 m170 -114.61 119.03 35.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CD2' HG23 ' A' ' 105' ' ' VAL . 22.7 m-85 -101.72 104.8 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 106' ' ' ARG . 33.1 mt -72.42 121.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -81.91 -170.56 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -86.59 42.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.206 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.43 -39.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.28 16.47 3.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.8 mt-10 -87.59 67.98 9.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 0.759 . . . . 0.0 110.21 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.525 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 0.9 OUTLIER -36.85 106.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' CG ' HD13 ' A' ' 38' ' ' LEU . 2.5 mm? -61.43 -49.16 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.448 1.093 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.525 ' OG1' ' CG2' ' A' ' 18' ' ' THR . 15.5 m 65.58 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.576 HG23 ' CE1' ' A' ' 11' ' ' PHE . 6.5 t -146.83 149.48 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.366 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -81.14 152.62 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -136.59 157.18 23.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -117.22 147.83 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.96 114.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.411 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.37 -23.51 10.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.478 ' CG ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -62.04 154.03 27.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.389 0.699 . . . . 0.0 109.404 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.667 ' N ' ' HD2' ' A' ' 31' ' ' ASP . 53.4 p -155.01 -151.95 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 28' ' ' SER . 3.4 pp 35.43 -151.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.14 46.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.667 ' HD2' ' N ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -76.73 -54.56 6.47 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 31' ' ' ASP . 14.4 t -63.89 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' ASN . 76.5 t -56.59 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 35' ' ' GLN . 65.9 t -58.59 -43.43 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.5 mm-40 -28.24 -45.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 2.5 t-20 -120.22 -12.06 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.6 t-20 86.11 32.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.351 1.032 . . . . 0.0 109.375 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HG ' ' CG ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -36.9 127.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' ILE . 38.1 t0 -82.91 53.7 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.19 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 39' ' ' ASP . 2.7 pt -52.57 -104.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 14' ' ' ARG . 11.7 t70 176.28 116.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.29 -40.79 3.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 35.6 m-85 61.07 128.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.812 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.805 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -33.09 134.07 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.805 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.321 . . -98.56 -169.23 1.76 Allowed 'General case' 1 CA--C 1.666 5.434 1 N-CA-C 69.511 -15.366 . . . . 0.0 69.511 -179.996 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.817 ' SG ' ' SG ' ' A' ' 52' ' ' CYS 0.419 8.0 p 4.8 172.62 0.0 OUTLIER 'General case' 2 C--N 1.032 -13.232 2 N-CA-C 66.404 -16.517 . . . . 0.0 66.404 -141.224 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -56.96 10.01 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.692 3 C-N-CA 171.662 19.985 . . . . 0.0 110.294 134.198 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.494 ' CA ' ' HB2' ' A' ' 92' ' ' CYS . . . 97.61 108.28 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.43 ' HB ' HD22 ' A' ' 50' ' ' LEU . 32.2 m -157.61 -42.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 0.73 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD23 ' SG ' ' A' ' 46' ' ' CYS . 0.3 OUTLIER -131.94 -108.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.686 ' O ' ' C ' ' A' ' 52' ' ' CYS . . . -145.84 25.07 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.569 1.168 . . . . 0.0 109.22 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.817 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 11.6 m -16.99 -64.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.432 1.082 . . . . 0.0 108.248 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 157.24 -51.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.06 57.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.456 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -150.97 -53.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 108.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.416 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 11.9 p-80 -42.67 156.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -165.1 172.83 12.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.2 mp -95.52 107.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.596 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . 2.9 m-85 -116.29 135.52 53.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.642 1.214 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -31.62 142.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -82.43 11.08 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.402 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 10.9 t-160 -123.62 6.8 8.85 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.497 1.123 . . . . 0.0 109.526 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 10.2 mm -124.78 -44.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.363 1.039 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 59' ' ' PHE . 1.1 m-85 -98.81 -54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 61' ' ' GLN . 5.0 tp10 -41.24 -26.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -85.09 46.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.6 mt -156.16 65.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.95 89.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.57 96.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.371 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.37 116.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.652 1.22 . . . . 0.0 109.301 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 m -119.35 170.07 9.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 t70 -44.59 -42.0 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -64.8 -37.14 86.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -76.72 -43.87 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -91.85 17.33 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ASP . 3.7 t0 -71.56 -46.59 59.0 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.49 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.0 tpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.64 -6.51 52.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 59' ' ' PHE . 1.7 ptt180 -127.54 62.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -152.61 172.41 16.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER 178.48 -147.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 33.8 tp -117.59 157.4 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.13 64.95 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.494 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.2 p -176.47 34.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 92' ' ' CYS . 15.5 mm100 -149.53 -51.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 tp -93.61 115.55 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.377 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.26 171.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 108.259 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 7' ' ' ILE . 9.4 mt -62.9 171.78 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 4.2 m -155.86 169.87 23.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.353 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -72.95 -38.05 66.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' ILE . . . -60.23 -28.31 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mtt -76.09 -8.74 57.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 5.5 p-10 -57.94 118.31 5.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 m-20 84.23 18.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.481 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -48.23 162.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.671 1.232 . . . . 0.0 111.104 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 55.2 m -138.41 58.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 11' ' ' PHE . 4.2 m -59.46 128.98 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 1.6 ttp85 -125.64 127.83 46.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 110.246 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 79.8 t -67.62 131.06 92.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 107' ' ' VAL . 18.3 Cg_endo -74.97 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.388 1.73 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.89 162.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -43.93 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.477 ' CG1' HD11 ' A' ' 96' ' ' LEU . 1.2 pp -131.95 174.11 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -117.22 156.47 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.4 t -147.77 133.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.39 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 17.7 m170 -100.88 107.85 19.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.54 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' HD12 ' A' ' 40' ' ' ILE . 37.7 t80 -94.33 85.42 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 104' ' ' THR . 22.2 mt -56.18 113.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 2.8 t30 -65.53 -167.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.208 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 40.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -160.55 -41.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.573 1.17 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' THR . . . 133.21 -5.1 4.96 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 2.4 mt-10 -62.29 76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 0.826 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' GLY . 1.2 m -37.36 98.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 1.8 mm? -59.22 -50.23 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.346 1.029 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 2.4 m 65.05 139.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.465 1.103 . . . . 0.0 110.484 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 t -165.87 158.23 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.381 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -116.88 126.42 52.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -120.56 174.6 15.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.599 1.187 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.367 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -105.55 151.48 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.07 111.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.236 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.13 19.58 10.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.075 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.01 117.95 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -150.69 -169.16 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp 59.95 41.89 16.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.163 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.2 mm? 66.08 65.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.0 t0 -115.13 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 9.8 p -43.18 -52.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.47 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 15.9 t -52.48 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 35' ' ' GLN . 82.3 t -46.96 -49.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -33.2 -42.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 49.2 t30 -104.64 -27.16 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 15.3 t30 94.43 23.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -39.37 157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 40' ' ' ILE . 26.2 t0 -54.08 -49.29 69.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 2.5 tp 35.61 60.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.82 93.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.639 1.212 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 110.31 24.27 5.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HA ' ' CG1' ' A' ' 40' ' ' ILE . 5.0 p90 -35.33 148.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.734 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -39.0 132.8 1.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.305 . . -94.38 -170.31 2.24 Favored 'General case' 1 CA--C 1.669 5.539 1 N-CA-C 68.225 -15.843 . . . . 0.0 68.225 -179.982 . . . . . . . . 5 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.663 ' SG ' ' SG ' ' A' ' 52' ' ' CYS 0.421 8.0 p 9.19 172.61 0.0 OUTLIER 'General case' 2 C--N 1.02 -13.734 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -140.916 . . . . . . . . 5 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.56 23.56 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.694 3 C-N-CA 171.697 19.999 . . . . 0.0 110.29 134.33 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' OG1' ' A' ' 49' ' ' THR . . . 86.78 100.37 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 49' ' ' THR . 1.2 m -170.65 14.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' O ' ' A' ' 49' ' ' THR . 13.3 mt 53.37 110.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' LEU . . . 162.72 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.245 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.663 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -107.27 -172.64 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.233 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.1 t -150.56 20.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.0 p -90.16 -17.45 27.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 0.0 110.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.15 -2.26 47.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.416 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -43.02 121.39 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.637 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -145.43 165.6 28.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 106' ' ' ARG . 1.3 mp -109.0 120.87 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 103' ' ' MET . 10.5 m-85 -113.97 120.44 40.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -34.2 124.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.224 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' GLU . 22.6 pt20 -49.63 -33.62 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 18.5 t-160 -60.85 -12.66 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.678 1.236 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 7.1 mt -107.57 -38.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 63.1 t80 -87.41 -58.32 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.16 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.0 pt-20 -35.84 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.394 1.059 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.353 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -84.88 43.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -177.0 78.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.16 68.68 9.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.48 79.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' C ' ' OG1' ' A' ' 71' ' ' THR . 6.3 tt -158.18 146.14 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.649 1.218 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.466 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 1.2 m -156.23 177.63 11.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -22.5 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.08 -48.61 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 71' ' ' THR . 1.9 tp10 -46.98 -38.45 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 76' ' ' ASP . 2.3 p30 -37.85 -43.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.294 0.996 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 77' ' ' MET . 97.4 m-20 45.38 98.74 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.4 tmm? . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.446 1.091 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.09 -4.18 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' PHE . 2.2 ptt180 -126.5 59.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 t -155.49 151.42 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.052 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 12.7 ttt85 -137.88 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' HIS . 1.3 tm? 66.16 -68.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 89' ' ' ARG . . . 139.38 164.7 9.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' ILE . 12.1 p 44.12 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 19.0 mt-30 66.36 -63.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -43.92 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.4 m -65.53 162.63 17.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 97' ' ' THR . 1.9 mt -68.16 149.64 49.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 17.0 p -158.54 173.76 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.352 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -67.32 -39.4 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.21 76.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.4 mtt -88.56 3.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 23.4 t70 -62.45 102.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.8 m-20 85.33 25.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.573 ' HE3' ' CD1' ' A' ' 59' ' ' PHE . 17.0 ptm -69.31 136.1 51.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 12' ' ' ILE . 26.8 m -95.04 89.69 5.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.118 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 11' ' ' PHE . 10.1 m -82.79 120.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 58' ' ' ILE . 14.2 ttt180 -128.97 137.06 51.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 28.8 m -65.22 144.07 98.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.484 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 18.7 Cg_endo -74.89 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -162.89 134.93 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.347 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.385 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.41 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.874 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.874 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.637 ' O ' ' CG2' ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 ' N ' ' CG2' ' A' ' 20' ' ' THR . 14.9 t -175.64 137.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.362 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.355 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 19' ' ' LEU . 1.1 tm? -39.98 153.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 40' ' ' ILE . 19.9 t70 -38.34 -59.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.499 ' C ' ' O ' ' A' ' 39' ' ' ASP . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.586 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HA ' ' S1 ' ' A' ' 146' ' ' FES . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 p -113.51 -171.36 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 p -134.05 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.383 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 ' HA ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.383 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' A' ' 60' ' ' GLU . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -44.01 -23.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.39 -72.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -108.65 -40.03 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 77' ' ' MET . 2.6 mp -47.78 -96.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 74.1 -64.01 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.7 tp -155.22 43.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 82' ' ' TYR . . . -47.64 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -32.1 99.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.57 -27.51 5.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 137.68 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m -133.27 -88.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 61' ' ' GLN . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 50' ' ' LEU . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.518 ' SG ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 95' ' ' CYS . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.531 ' SD ' ' CG1' ' A' ' 105' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.6 m -105.9 109.26 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.572 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.363 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -122.69 163.07 20.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' A' ' 96' ' ' LEU . 2.5 pp -135.94 166.39 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -118.19 157.51 26.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG12 ' CE1' ' A' ' 11' ' ' PHE . 53.6 t -150.98 148.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.416 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 14.6 m170 -115.9 110.99 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.619 1.199 . . . . 0.0 109.567 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CG ' ' CG2' ' A' ' 105' ' ' VAL . 28.4 m-85 -94.41 127.3 40.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mt -98.56 135.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.4 1.062 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -91.74 -165.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.59 39.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -157.97 -39.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.07 14.54 4.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.399 1.062 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.7 mt-10 -82.69 70.65 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 0.816 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.6 m -36.48 120.38 0.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' CG ' HD13 ' A' ' 38' ' ' LEU . 2.7 mm? -83.12 -46.16 13.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 33.5 m 66.91 136.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.393 1.058 . . . . 0.0 110.52 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.425 HG21 ' CD1' ' A' ' 11' ' ' PHE . 4.0 t -157.81 152.04 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.374 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -93.88 142.9 26.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -128.1 173.47 18.94 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.55 1.156 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -120.85 129.35 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.399 0.705 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 5' ' ' ASP . 1.8 tt -56.86 110.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.19 19.92 11.04 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.412 1.07 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.2 OUTLIER -54.84 172.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.9 172.06 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.898 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 mp 51.97 61.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.187 . . . . 0.0 109.382 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 4.0 mm? 63.93 -82.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 52.36 -163.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' VAL . 92.9 t 48.88 -90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -39.72 -45.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 50.4 t -79.17 -51.67 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.591 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 42.1 t-20 -110.48 -31.26 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 34.7 t30 88.85 32.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.386 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -32.56 133.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.198 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' HD12 ' A' ' 38' ' ' LEU . 60.4 t0 -74.94 67.32 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 38' ' ' LEU . 14.5 mt -143.42 92.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -58.14 156.51 9.51 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.589 1.181 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.48 -28.19 7.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 21.9 p90 -37.32 101.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 43' ' ' PHE . . . 49.95 176.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.281 . . 154.76 -172.6 0.0 OUTLIER 'General case' 1 CA--C 1.676 5.791 1 N-CA-C 66.112 -16.625 . . . . 0.0 66.112 179.92 . . . . . . . . 4 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' N ' ' A' ' 50' ' ' LEU 0.42 8.1 p 18.72 172.58 0.0 OUTLIER 'General case' 2 C--N 1.001 -14.56 3 N-CA-C 66.398 -16.519 . . . . 0.0 66.398 -141.678 . . . . . . . . 5 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 48' ' ' GLY . 72.7 mt-10 -63.93 66.21 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.686 3 C-N-CA 171.745 20.018 . . . . 0.0 110.274 133.553 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 31.36 48.22 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.605 1.19 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.57 8.55 8.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.475 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.54 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 14.1 mt 56.16 110.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LEU . . . 166.13 -30.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 53' ' ' SER . 27.6 p -78.8 -44.84 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.527 ' O ' ' CG2' ' A' ' 54' ' ' THR . 22.5 p 59.59 75.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 53' ' ' SER . 3.9 p -160.55 -36.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 54' ' ' THR . 25.4 p -56.0 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 108.262 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.409 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER 73.89 153.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.601 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -167.11 163.89 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -78.68 116.24 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.589 ' CD1' HG13 ' A' ' 105' ' ' VAL . 8.3 m-85 -117.27 141.87 47.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PHE . 5.3 mm-40 -30.15 112.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 5.6 pt20 -48.18 -43.78 32.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 51.5 t60 -61.13 -9.76 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 42.6 mm -103.99 -43.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.552 1.157 . . . . 0.0 109.352 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 88' ' ' SER . 18.3 t80 -81.3 -65.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.38 1.05 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm-40 -27.46 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -79.23 55.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -173.1 150.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' N ' HD11 ' A' ' 67' ' ' LEU . 2.3 mt-10 -44.01 116.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -88.95 -174.24 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER 47.49 -173.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.537 ' HB ' ' CA ' ' A' ' 75' ' ' ASN . 44.4 m -125.37 175.26 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 74' ' ' GLU . 2.1 t70 -42.69 -64.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -78.83 36.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.699 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 19.1 mm-40 60.51 42.59 14.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.699 ' CB ' ' O ' ' A' ' 74' ' ' GLU . 12.2 p-10 103.91 33.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 73' ' ' GLU . 7.3 t0 -38.24 -67.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 78' ' ' LEU . 4.0 tpt -96.1 47.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 75' ' ' ASN . 0.7 OUTLIER -57.36 -161.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.603 ' OD2' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -113.24 -20.66 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 78' ' ' LEU . 0.2 OUTLIER 47.77 30.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 84' ' ' LEU . . . -122.86 89.5 3.12 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 83' ' ' GLY . 70.3 t80 54.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 82' ' ' TYR . . . -36.25 -53.11 1.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.572 ' HG ' ' N ' ' A' ' 85' ' ' THR . 0.1 OUTLIER 40.01 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.572 ' N ' ' HG ' ' A' ' 84' ' ' LEU . 41.7 p 51.47 -157.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-20 67.66 3.47 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -174.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.617 ' OG ' ' CD2' ' A' ' 56' ' ' HIS . 32.8 t -70.97 164.39 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -166.7 164.91 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 11.9 tp -58.95 152.57 19.33 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.54 68.86 0.5 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.497 1.123 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 1.2 p -174.96 -44.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -90.37 -47.09 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.217 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.476 HG23 ' CZ ' ' A' ' 89' ' ' ARG . 1.5 pp -72.75 104.04 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 22.4 m -55.53 160.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.178 . . . . 0.0 108.254 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 11.4 mt -57.5 172.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 m -155.4 167.48 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 63' ' ' ILE . . . -61.95 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.8 mtt -94.95 -4.31 46.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 28.2 t70 -51.57 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 32.7 t30 82.85 41.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -91.8 149.12 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 58' ' ' ILE . 29.5 m -96.32 105.45 17.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 110.319 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 59' ' ' PHE . 16.7 m -92.29 120.04 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -124.9 136.19 53.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.62 132.98 23.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -7.73 19.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.577 1.83 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.22 119.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.368 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -127.78 163.24 24.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 96' ' ' LEU . 9.2 pt -140.29 137.28 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -83.85 152.3 24.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 103' ' ' MET . 2.5 t -147.0 156.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.391 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 16.0 t-160 -123.37 123.53 40.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 49.1 m-85 -112.25 90.88 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.53 HG12 ' CE1' ' A' ' 10' ' ' HIS . 48.2 mt -61.88 118.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.603 1.189 . . . . 0.0 109.4 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -69.65 167.26 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -52.38 -32.65 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.662 1.226 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -34.03 16.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.87 7.17 8.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' THR . 63.4 mt-10 -68.44 75.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.593 HG22 ' CD2' ' A' ' 10' ' ' HIS . 26.9 m -28.79 126.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -93.55 -53.53 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m 63.38 131.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' CG1' ' A' ' 32' ' ' VAL . 2.8 t -156.01 154.6 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.36 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -101.21 122.57 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -102.01 173.87 23.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.384 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -117.19 140.73 49.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 0.783 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.8 tt -66.82 111.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 112.62 4.51 24.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -44.45 166.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 83.7 p -118.64 -168.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 2.7 pp -38.37 129.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 45.28 -100.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.201 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 65.9 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 21' ' ' THR . 35.1 t -33.6 -38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' ASN . 80.8 t -62.25 -60.17 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ASN . 22.6 t -75.03 -54.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.067 . . . . 0.0 109.182 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.71 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.348 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 17.1 t-20 -110.61 -27.54 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 82.47 17.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 4.7 tp -41.2 159.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.71 62.1 0.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 1.4 pt -89.26 85.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -46.25 116.16 1.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.551 1.157 . . . . 0.0 109.229 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.09 24.0 7.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.451 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 25.2 p90 -38.78 155.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 54' ' ' THR . . . -49.58 102.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.346 . . -62.63 -167.86 0.02 OUTLIER 'General case' 1 CA--C 1.66 5.191 1 N-CA-C 71.404 -14.665 . . . . 0.0 71.404 179.913 . . . . . . . . 4 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 50' ' ' LEU 0.417 8.3 p -0.77 172.61 0.0 OUTLIER 'General case' 2 C--N 1.049 -12.49 2 N-CA-C 66.431 -16.507 . . . . 0.0 66.431 -141.75 . . . . . . . . 5 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.9 mt-10 -49.6 -6.51 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.678 3 C-N-CA 171.661 19.984 . . . . 0.0 110.33 134.074 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 115.47 179.0 18.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.571 1.169 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 48' ' ' GLY . 56.7 m 73.0 35.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 0.718 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.765 ' HB3' ' S1 ' ' A' ' 146' ' ' FES . 0.9 OUTLIER -147.5 -137.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.632 ' N ' ' S1 ' ' A' ' 146' ' ' FES . . . -160.63 30.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 51' ' ' ALA . 4.3 p -58.79 -116.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 0.0 108.238 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 52' ' ' CYS . 35.1 m -174.36 30.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.414 ' CB ' ' HA2' ' A' ' 44' ' ' GLY . 1.2 p -110.81 -11.89 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 56' ' ' HIS . 19.9 p -109.71 -11.08 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.391 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 15.4 t-160 -36.39 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.08 . . . . 0.0 109.535 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.2 mp 50.79 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -103.16 111.76 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.428 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -112.05 128.35 56.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.11 146.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.41 1.068 . . . . 0.0 110.326 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.45 -12.51 53.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.409 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 45.5 t-80 -78.35 -5.12 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.0 mm -123.59 -48.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -54.4 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -48.39 -21.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.384 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -85.73 45.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -151.28 83.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -83.63 69.22 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.07 137.83 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.541 HG12 ' CA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -140.12 -164.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.552 ' OG1' ' CA ' ' A' ' 76' ' ' ASP . 33.0 m -112.27 177.82 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.8 t70 -47.52 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -82.48 30.24 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.541 ' CA ' HG12 ' A' ' 70' ' ' ILE . 10.7 mt-10 51.63 34.62 13.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.602 1.189 . . . . 0.0 110.366 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -86.31 -81.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.6 1.188 . . . . 0.0 109.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.552 ' CA ' ' OG1' ' A' ' 71' ' ' THR . 16.3 t70 46.61 64.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.464 ' CB ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER 61.53 53.22 3.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -89.9 -128.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.623 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -50.8 -17.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -29.02 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 79' ' ' ASP . . . -153.07 123.85 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.323 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -47.35 173.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.64 -11.27 46.22 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.337 1.023 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.69 86.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 0.702 . . . . 0.0 109.354 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.0 m -105.83 -116.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -15.01 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -137.75 69.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 57' ' ' LEU . 33.0 t -173.21 140.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.922 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.348 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.52 ' CD2' ' CD ' ' A' ' 93' ' ' GLN . 0.4 OUTLIER -169.68 143.85 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.33 28.39 0.56 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.453 ' HB2' ' HA3' ' A' ' 48' ' ' GLY . 6.2 p -100.36 -46.49 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.52 ' CD ' ' CD2' ' A' ' 90' ' ' LEU . 7.3 pt20 -76.96 54.2 1.0 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.427 1.079 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.5 tp -164.48 164.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 p -102.12 168.47 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 108.21 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 7.1 mt -66.06 162.91 18.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.369 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 6.3 m -156.08 170.12 22.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.397 1.061 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -76.97 -42.81 37.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.08 -20.66 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.609 ' O ' ' C ' ' A' ' 101' ' ' ASP . 4.1 mtp -90.84 -50.33 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.609 ' C ' ' O ' ' A' ' 100' ' ' MET . 57.0 t0 -22.1 115.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.448 1.092 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.3 t-20 88.14 29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 103' ' ' MET . 10.8 ptm -89.69 123.95 34.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 10' ' ' HIS . 87.5 m -93.17 98.05 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.7 m -94.47 128.53 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 1.1 ttt85 -125.9 135.39 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -80.48 144.03 56.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.1 Cg_endo -75.06 177.05 9.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.5 t0 177.69 91.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.765 ' S1 ' ' HB3' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.385 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.41 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.874 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.874 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.637 ' O ' ' CG2' ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 ' N ' ' CG2' ' A' ' 20' ' ' THR . 14.9 t -175.62 137.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.362 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.355 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 19' ' ' LEU . 1.1 tm? -39.98 154.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 40' ' ' ILE . 19.8 t70 -38.39 -59.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.499 ' C ' ' O ' ' A' ' 39' ' ' ASP . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 4 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.586 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HA ' ' S1 ' ' A' ' 146' ' ' FES . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 p -113.5 -171.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 p -134.07 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.383 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 ' HA ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.383 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' A' ' 60' ' ' GLU . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -43.96 -23.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.41 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -108.65 -40.03 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 77' ' ' MET . 2.6 mp -47.78 -96.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 74.1 -64.01 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.7 tp -155.22 43.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 82' ' ' TYR . . . -47.64 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -32.1 99.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.57 -27.51 5.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 137.68 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m -133.27 -88.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 61' ' ' GLN . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 50' ' ' LEU . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.518 ' SG ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 95' ' ' CYS . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.531 ' SD ' ' CG1' ' A' ' 105' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.6 m -105.91 109.28 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.572 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.385 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -99.69 167.05 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.78 166.61 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.2 m -114.96 165.73 12.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG23 ' CE ' ' A' ' 103' ' ' MET . 7.7 t -152.0 155.44 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.415 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 18.1 m80 -131.43 114.16 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.562 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 40' ' ' ILE . 62.5 t80 -102.68 115.8 31.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 HD11 ' CG2' ' A' ' 104' ' ' THR . 16.4 mt -82.23 109.48 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.54 159.36 8.43 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.359 1.037 . . . . 0.0 109.333 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -52.88 -24.97 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.84 -24.79 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.43 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.22 16.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.636 1.21 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' THR . 18.9 mt-10 -79.0 70.56 5.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.456 0.739 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.9 m -34.39 126.95 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -95.07 -51.93 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.425 ' OG1' ' CD2' ' A' ' 10' ' ' HIS . 2.1 m 63.7 137.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.458 ' CG2' HG11 ' A' ' 32' ' ' VAL . 14.7 t -161.03 150.52 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.389 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -86.0 150.43 24.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -138.43 158.39 24.91 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.612 1.195 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.41 117.36 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.37 14.05 15.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -107.65 145.15 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.4 p -100.18 156.62 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.13 -49.86 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HG ' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -55.73 -42.69 75.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 35' ' ' GLN . 65.3 m-20 -65.05 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG11 ' CG2' ' A' ' 21' ' ' THR . 88.0 t -37.34 -48.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 40' ' ' ILE . 41.6 t -61.54 -72.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.3 t -46.23 -30.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.064 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.3 mt-30 -55.41 -29.41 58.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -128.03 4.98 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' VAL . 8.8 m-20 63.27 28.07 15.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD21 ' CG ' ' A' ' 11' ' ' PHE . 8.7 tt -41.15 157.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.193 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -92.1 59.32 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.572 HG13 ' CE1' ' A' ' 11' ' ' PHE . 18.6 tt -73.63 82.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -48.7 105.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.96 -60.34 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.581 1.175 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 54.0 t80 55.48 163.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.666 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -72.09 130.19 16.19 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.301 . . -101.32 -170.55 1.85 Allowed 'General case' 1 CA--C 1.669 5.551 1 N-CA-C 67.948 -15.945 . . . . 0.0 67.948 -179.977 . . . . . . . . 5 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p 9.71 5.72 0.0 OUTLIER 'General case' 1 C--N 1.019 -13.799 1 C-N-CA 153.747 12.819 . . . . 0.0 113.383 -140.923 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER 55.9 65.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.064 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 34.66 80.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -156.09 18.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 0.781 . . . . 0.0 110.414 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' THR . 37.6 mt 46.33 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.38 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.4 p -71.35 -41.7 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 8.5 p 60.38 42.87 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.915 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -117.94 -28.94 5.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -62.69 134.85 56.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.219 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.386 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -176.62 117.05 0.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 106' ' ' ARG . 1.6 mm? -128.95 164.21 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -99.45 106.37 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' ARG . 7.8 m-85 -104.13 134.15 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.4 mt-10 -38.7 119.88 0.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.523 1.139 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 21.6 pt20 -50.31 -26.39 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.389 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 56.9 t-80 -63.92 -9.99 18.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.544 1.153 . . . . 0.0 109.649 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.1 mt -112.81 -49.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 9.8 t80 -71.89 -57.12 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.03 -26.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.382 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -59.28 -16.59 22.49 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 109.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ALA . 1.8 mm? -116.73 66.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.407 1.067 . . . . 0.0 109.384 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 72.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -155.59 104.27 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' C ' ' OG1' ' A' ' 71' ' ' THR . 5.1 tt -174.96 130.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' GLU . 7.2 m -156.15 172.56 18.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -37.11 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' THR . 1.3 tt0 -78.57 -68.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -40.53 -51.45 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' MET . 1.6 m-20 -42.82 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 73' ' ' GLU . 1.2 m-20 43.58 -90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 75' ' ' ASN . 18.0 tpp -85.92 49.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -74.97 -123.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.487 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.3 m-20 -162.02 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 1.6 tm? 68.94 21.38 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 109.386 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.02 151.07 32.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -39.97 153.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 88' ' ' SER . . . 103.79 -39.3 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -67.55 71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 58.0 m -113.32 -107.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.461 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -120.1 -2.32 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.381 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -135.14 50.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.237 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.7 t -150.28 121.03 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -132.21 145.92 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' CD2' ' SG ' ' A' ' 92' ' ' CYS . 0.7 OUTLIER -44.45 119.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.215 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.37 93.79 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.433 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.9 p 177.1 -37.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -56.76 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.8 tp -42.36 122.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.27 166.84 17.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 108.408 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 10.3 mt -65.01 158.38 25.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 96' ' ' LEU . 9.5 m -158.0 170.82 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.367 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -83.59 51.38 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.89 -42.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 8.5 mtt -83.68 22.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -72.48 109.86 6.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.1 m-20 84.04 17.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.473 ' CE ' HG23 ' A' ' 9' ' ' VAL . 11.5 ptt? -60.72 133.3 55.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.402 ' CG2' HD11 ' A' ' 12' ' ' ILE . 49.6 m -94.99 94.05 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 103' ' ' MET . 34.9 m -90.64 125.24 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.501 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 2.5 ttm180 -120.61 135.69 55.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 5.7 p -97.28 138.49 21.19 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.5 Cg_endo -75.01 -175.42 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.378 1.725 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.42 84.97 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.174 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -113.96 167.94 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 109.371 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 8' ' ' THR . 1.6 pp -135.52 -170.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 93.9 m -143.54 156.11 44.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 10' ' ' HIS . 53.4 t -140.69 166.96 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.419 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 23.5 m-70 -140.98 102.21 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 109.556 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 16.9 t80 -91.68 116.41 28.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.3 mt -87.72 99.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.378 1.049 . . . . 0.0 109.346 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.27 163.44 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -51.52 -31.89 25.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.3 -27.6 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.29 9.67 33.31 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.4 mm-40 -75.52 70.0 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 17' ' ' GLU . 2.1 m -30.8 123.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.577 HD22 ' CD2' ' A' ' 11' ' ' PHE . 3.6 mm? -89.69 -48.86 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.9 m 65.36 141.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 t -157.11 161.19 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -123.48 121.8 36.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -114.63 -165.87 15.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -128.35 143.96 51.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.19 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 tt -57.65 99.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.16 -6.21 6.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 121.3 15.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -134.76 -172.35 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 0.0 109.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.02 34.1 24.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.95 63.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 32' ' ' VAL . 29.7 t0 -101.66 -56.58 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 1.5 p -31.44 -50.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.506 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 2.6 t -67.48 -70.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -38.95 -52.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.7 mt-30 -37.84 -41.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -99.48 -23.47 15.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.2 t30 83.24 36.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.597 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 4.7 tt -46.51 170.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.33 61.34 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.562 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.6 tt -93.28 63.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ILE . 34.7 t70 38.08 66.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.357 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 64.09 62.82 4.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 34' ' ' VAL . 17.2 p90 -28.37 134.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.783 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.732 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 53.05 66.34 2.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.669 ' C ' ' HG ' ' A' ' 52' ' ' CYS 0.39 . . -58.46 -165.81 0.0 OUTLIER 'General case' 1 CA--C 1.648 4.726 1 N-CA-C 74.847 -13.39 . . . . 0.0 74.847 179.871 . . . . . . . . 5 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.732 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.418 8.1 p -9.49 172.59 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.233 2 N-CA-C 66.368 -16.531 . . . . 0.0 66.368 -143.382 . . . . . . . . 5 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -51.89 9.05 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.671 3 C-N-CA 171.721 20.008 . . . . 0.0 110.195 134.406 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.583 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 98.99 111.99 3.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.533 ' CB ' HD22 ' A' ' 50' ' ' LEU . 17.1 m -152.91 -50.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.739 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -175.26 -70.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.563 ' O ' ' S1 ' ' A' ' 146' ' ' FES . . . -71.92 -106.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.669 ' HG ' ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 32.06 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.46 ' O ' ' CG2' ' A' ' 54' ' ' THR . 0.7 OUTLIER -80.2 63.85 4.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 53' ' ' SER . 1.7 p -158.97 43.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.484 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -126.25 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 108.245 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.388 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -88.95 -76.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' HG ' ' CG2' ' A' ' 107' ' ' VAL . 0.2 OUTLIER 80.08 -179.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.695 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -45.32 120.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -83.58 171.68 13.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -73.25 3.71 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.7 tt0 84.18 -51.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.412 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 11.9 t-160 -65.03 -2.96 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.559 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.575 HG22 ' CE1' ' A' ' 59' ' ' PHE . 10.2 mm -101.16 -47.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.4 t80 -95.82 -52.3 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.64 -25.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -81.15 47.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD21 ' CD1' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -166.63 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.65 65.77 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' A' ' 67' ' ' LEU . . . -163.1 128.58 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.396 1.06 . . . . 0.0 109.271 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' OG1' ' A' ' 71' ' ' THR . 8.5 tt -173.73 130.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.6 m -157.09 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.86 -31.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -75.37 -64.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -48.57 -53.65 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 77' ' ' MET . 5.2 m120 -38.16 -61.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 73' ' ' GLU . 16.4 m-20 44.86 -94.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.545 ' CG ' ' HA ' ' A' ' 50' ' ' LEU . 2.3 mpp? -64.25 -62.08 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD2' HD13 ' A' ' 84' ' ' LEU . 4.7 mt -39.67 -56.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.23 -88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -143.87 44.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' A' ' 110' ' ' ALA . . . -57.93 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.175 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 49.2 t80 37.79 93.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 41.84 76.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -37.94 126.22 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 p -105.87 166.5 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.49 4.35 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 59' ' ' PHE . 3.2 ptt180 -128.15 51.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -156.49 133.73 10.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.33 93.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.02 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.601 1.188 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 90' ' ' LEU . . . 30.79 72.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.495 ' SG ' ' HA2' ' A' ' 48' ' ' GLY . 15.1 p -81.45 66.26 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -162.77 32.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.92 148.65 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.23 153.71 21.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -55.27 171.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.4 m -148.19 174.31 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -79.69 -38.56 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -61.24 -33.33 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.415 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 47.5 mtt -76.45 3.16 11.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 46.3 t0 -61.76 104.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 7.9 t-20 90.54 33.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.464 ' HG2' ' CG2' ' A' ' 9' ' ' VAL . 4.4 ptt? -76.54 127.73 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 89.0 m -97.35 93.54 6.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.243 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.695 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 15.7 m -87.41 133.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -127.66 110.97 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.49 ' CG2' ' HG ' ' A' ' 57' ' ' LEU . 4.5 t -55.16 108.73 1.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.661 1.225 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.566 1.824 . . . . 0.0 111.033 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' ALA . 0.3 OUTLIER 173.26 43.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.725 ' S1 ' ' C ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 1.1 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.375 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -129.45 162.83 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 pt -128.98 169.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.1 m -113.12 168.04 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.648 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 2.3 t -160.88 153.13 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.414 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 10.9 m-70 -126.51 114.85 18.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.358 1.036 . . . . 0.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 69.0 m-85 -102.5 127.06 49.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 106' ' ' ARG . 23.5 mt -95.26 129.05 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -83.46 -169.08 2.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -86.11 45.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -164.28 -39.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.81 17.4 3.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.1 mm-40 -87.25 71.67 10.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.4 m -36.23 118.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' CB ' HD12 ' A' ' 38' ' ' LEU . 2.7 mm? -82.37 -46.4 13.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.3 m 65.39 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -171.22 152.81 3.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.387 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -91.82 148.56 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -133.42 170.25 22.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -117.28 133.97 55.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 0.771 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 5' ' ' ASP . 4.5 tt -60.68 110.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 11.57 20.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.44 172.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.3 p -179.91 163.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' LEU . 4.5 mm? 60.56 44.13 12.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 109.218 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.6 mp 39.32 76.37 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.567 1.167 . . . . 0.0 109.218 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.616 ' O ' ' C ' ' A' ' 32' ' ' VAL . 21.2 t0 -98.62 -60.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 31' ' ' ASP . 69.4 t -21.71 -65.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 40' ' ' ILE . 1.8 p -42.65 -72.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 35' ' ' GLN . 45.3 t -53.17 -43.84 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.625 1.203 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -30.0 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 6.8 t30 -116.8 -16.53 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 27.2 t30 82.0 30.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -46.51 171.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.47 -57.24 4.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 33' ' ' VAL . 40.2 mm 52.43 -108.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 43' ' ' PHE . 8.7 t70 178.11 174.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.43 53.91 1.54 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 41' ' ' ASP . 15.8 m-30 -107.47 -168.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.603 0.825 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.848 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . 68.15 47.49 58.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.848 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.33 . . -92.06 -168.88 2.1 Favored 'General case' 1 CA--C 1.664 5.329 1 N-CA-C 70.023 -15.177 . . . . 0.0 70.023 179.971 . . . . . . . . 5 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 3.24 172.55 0.0 OUTLIER 'General case' 2 C--N 1.036 -13.055 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -141.283 . . . . . . . . 5 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.71 -26.11 0.11 Allowed 'General case' 1 C--N 1.021 -13.708 3 C-N-CA 171.63 19.972 . . . . 0.0 110.305 133.868 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 92' ' ' CYS . . . 138.46 2.3 2.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.458 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 18.8 m -36.11 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 0.74 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' HA ' ' S1 ' ' A' ' 146' ' ' FES . 0.0 OUTLIER 84.56 122.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' LEU . . . 87.93 36.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -68.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.579 1.174 . . . . 0.0 108.382 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -115.67 -169.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.994 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 43' ' ' PHE . 53.0 p -64.49 -115.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' THR . 7.1 m 83.69 42.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.388 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 6.5 t-160 -118.34 119.03 33.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.539 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mp -142.08 157.81 44.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.744 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 0.1 OUTLIER -71.43 150.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 10.5 m-85 -140.3 137.54 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 44.6 mt-10 -42.26 123.99 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.8 tt0 -55.0 -33.16 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.389 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 57.6 t-80 -88.83 22.7 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' CB ' ' A' ' 99' ' ' ALA . 27.9 mm -127.73 -52.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -90.51 -58.31 2.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -41.35 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.374 1.046 . . . . 0.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.339 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -77.0 42.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -150.66 157.77 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -116.08 75.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.65 130.37 4.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.395 1.059 . . . . 0.0 109.201 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.791 ' CG1' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tt -173.45 -175.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.667 ' O ' ' C ' ' A' ' 72' ' ' ASP . 30.8 m -122.07 -172.33 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.667 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -14.39 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -150.45 48.25 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.791 ' HA ' ' CG1' ' A' ' 70' ' ' ILE . 1.1 pt-20 91.84 30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.636 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 17.8 t-20 -82.56 -94.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.587 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.4 OUTLIER 36.39 32.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.237 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.587 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 6.6 tpt 88.19 42.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' HB2' ' O ' ' A' ' 75' ' ' ASN . 1.1 mm? -127.71 -51.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER 61.7 135.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.31 57.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 79' ' ' ASP . . . -77.88 126.46 30.87 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 11.7 m-85 -37.47 101.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 164.25 -42.15 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.588 1.18 . . . . 0.0 110.963 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 2.5 mp -39.48 111.95 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' ARG . 87.0 m -120.71 -113.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -38.92 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 88' ' ' SER . 0.2 OUTLIER 172.55 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.744 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER 56.32 145.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -163.39 -155.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -97.36 144.13 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.61 58.43 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.444 1.09 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.603 ' HB3' ' CA ' ' A' ' 48' ' ' GLY . 30.9 m -144.0 161.77 37.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER 36.73 32.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.218 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 92' ' ' CYS . 1.1 pt -129.43 86.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 19.5 m -50.62 162.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 108.359 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.545 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -68.28 167.54 14.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 96' ' ' LEU . 51.1 m -158.14 174.12 15.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.495 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.347 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -71.67 -20.78 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.496 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -69.25 -46.3 67.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.1 mtt -78.76 3.9 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 45.3 t0 -59.4 95.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.4 t30 75.54 49.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.471 ' SD ' ' CE2' ' A' ' 59' ' ' PHE . 9.7 ptt? -98.7 145.35 26.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 61.3 m -96.33 97.35 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.511 HG22 ' CE2' ' A' ' 11' ' ' PHE . 24.2 m -94.48 135.76 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 2.8 tmt_? -136.4 144.93 44.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 p -116.8 130.11 24.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -88.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.597 1.841 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -161.45 147.66 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.396 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.648 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.35 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -120.66 161.97 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 96' ' ' LEU . 2.8 pt -125.84 -161.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.416 1.073 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -145.7 156.69 43.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' A' ' 103' ' ' MET . 68.9 t -150.67 130.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.404 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 0.2 OUTLIER -103.83 108.85 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.696 ' CE2' ' CD2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -86.99 77.15 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.328 1.017 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 29.0 mt -44.5 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.788 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 t-20 -63.01 -151.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HD3' ' CG1' ' A' ' 107' ' ' VAL . 45.6 mmm-85 -117.58 -33.72 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -73.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.66 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -111.6 -10.61 18.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.788 ' HA ' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 40.89 110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 0.0 110.374 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.67 ' CB ' ' O ' ' A' ' 17' ' ' GLU . 1.2 m 152.42 26.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 110.386 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -35.8 -60.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 10' ' ' HIS . 13.0 m 65.26 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.488 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 8.3 t -141.86 146.97 36.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.359 ' CE ' ' HZ3' ' A' ' 22' ' ' LYS . . . -91.61 128.37 37.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.509 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -114.61 176.98 17.26 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.386 ' CE ' ' HZ3' ' A' ' 24' ' ' LYS . . . -122.89 142.4 50.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.398 0.705 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.1 tt -68.46 105.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 129.29 -5.55 6.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -46.4 172.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.66 172.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER 41.09 54.01 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.5 mm? 58.62 114.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.4 t0 -147.98 -153.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER 38.09 -89.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.608 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -49.8 -46.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ASN . 98.9 t -73.67 -59.13 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 32' ' ' VAL . 1.1 pt20 -46.13 -35.98 5.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.623 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 4.3 t-20 -78.71 -32.65 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.623 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.6 t30 94.12 10.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -41.05 161.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.47 71.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 1.5 pp -67.25 90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -88.41 89.84 8.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.13 -37.98 3.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 20.1 m-85 -47.88 109.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 30' ' ' LEU . . . 62.95 153.25 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.316 . . 177.56 -169.6 0.08 Allowed 'General case' 1 CA--C 1.667 5.461 1 N-CA-C 68.975 -15.565 . . . . 0.0 68.975 -179.987 . . . . . . . . 4 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.544 ' SG ' ' CD2' ' A' ' 50' ' ' LEU 0.419 8.1 p 6.22 172.53 0.0 OUTLIER 'General case' 2 C--N 1.028 -13.413 2 N-CA-C 66.39 -16.522 . . . . 0.0 66.39 -140.98 . . . . . . . . 5 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.74 66.78 0.09 Allowed 'General case' 1 C--N 1.021 -13.714 3 C-N-CA 171.564 19.946 . . . . 0.0 110.328 133.808 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . 124.02 162.02 11.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 1.262 ' HA ' ' S1 ' ' A' ' 146' ' ' FES . 4.6 t -83.95 121.12 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 171.14 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.383 1.052 . . . . 0.0 109.246 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -86.25 -97.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.556 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.8 p -29.79 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 108.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.671 ' N ' ' O ' ' A' ' 51' ' ' ALA . 34.3 p 42.04 66.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.6 OUTLIER -166.19 -93.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' THR . 4.4 p 38.12 31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.398 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 7.3 p80 -75.65 -172.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.688 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' CD1' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER 163.96 166.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.218 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -92.06 107.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.231 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.649 ' HB3' ' CG ' ' A' ' 64' ' ' PHE . 1.1 t80 -110.09 143.7 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -42.08 118.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -51.84 -19.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.414 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 9.0 t60 -79.87 4.49 16.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.4 mt -126.97 -50.42 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.649 ' CG ' ' HB3' ' A' ' 59' ' ' PHE . 2.3 m-30 -80.15 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.86 -24.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.354 ' CE ' ' HZ3' ' A' ' 66' ' ' LYS . . . -60.95 -22.18 64.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm? -49.74 159.37 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 65.78 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 70.03 173.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.43 HD12 ' CD2' ' A' ' 78' ' ' LEU . 14.7 tt -143.09 113.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 m -119.36 175.18 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -23.48 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -39.65 16.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.76 -38.47 64.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.63 1.206 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . 29.0 p30 -89.57 25.34 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.629 ' O ' ' CB ' ' A' ' 77' ' ' MET . 11.8 t70 -69.91 112.88 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.629 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.1 tpt 91.09 7.97 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.411 1.069 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 75' ' ' ASN . 10.1 mp -81.61 -101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.669 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER 72.46 2.91 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.669 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -14.06 -56.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.644 ' N ' ' O ' ' A' ' 79' ' ' ASP . . . 87.8 144.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 81' ' ' ALA . 37.7 t80 47.83 176.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' N ' ' CD2' ' A' ' 82' ' ' TYR . . . 37.92 32.6 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -70.69 60.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.244 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 83' ' ' GLY . 1.9 m -92.88 -171.57 2.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.62 14.44 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -135.47 46.9 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 57' ' ' LEU . 7.0 t -163.12 143.44 9.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.619 ' HG3' ' CE2' ' A' ' 64' ' ' PHE . 0.3 OUTLIER 174.81 140.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 49' ' ' THR . 6.8 tt -37.31 141.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.16 121.11 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -45.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' A' ' 49' ' ' THR . 67.8 mt-30 -83.43 -18.47 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 94' ' ' ILE . 1.1 tp -63.33 95.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.3 p -44.8 165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 108.255 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.509 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 8.0 mt -67.76 169.05 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.431 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 5.3 m -157.86 177.41 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.37 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -74.9 -54.59 6.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.31 -22.98 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.501 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 33.3 mtt -85.67 -1.84 57.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.9 t0 -69.49 112.32 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 3.6 m120 83.5 19.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.606 ' O ' ' CG ' ' A' ' 103' ' ' MET . 2.6 ptt? -63.26 106.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.487 HG23 ' CD1' ' A' ' 12' ' ' ILE . 37.9 m -78.15 83.24 4.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.595 ' CG2' ' CD1' ' A' ' 11' ' ' PHE . 8.1 m -74.81 130.45 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.517 ' N ' HD21 ' A' ' 57' ' ' LEU . 16.7 ttt180 -129.72 131.88 46.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.433 ' N ' HD22 ' A' ' 57' ' ' LEU . 8.7 p -71.75 139.54 83.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.4 Cg_endo -74.97 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.634 1.86 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 t70 179.16 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 1.262 ' S1 ' ' HA ' ' A' ' 49' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . 48.89 176.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.488 HD12 ' CD2' ' A' ' 96' ' ' LEU . 41.7 pt -142.4 -170.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' ASN . 2.7 m -141.71 149.77 40.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 11' ' ' PHE . 61.7 t -142.88 144.96 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.398 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 26.1 m170 -114.61 119.03 35.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CD2' HG23 ' A' ' 105' ' ' VAL . 22.7 m-85 -101.72 104.8 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 106' ' ' ARG . 33.1 mt -72.42 121.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -81.91 -170.56 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -86.59 42.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.206 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.43 -39.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.28 16.47 3.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.8 mt-10 -87.59 67.98 9.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 0.759 . . . . 0.0 110.21 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.525 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 0.9 OUTLIER -36.85 106.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' CG ' HD13 ' A' ' 38' ' ' LEU . 2.5 mm? -61.43 -49.16 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.448 1.093 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.525 ' OG1' ' CG2' ' A' ' 18' ' ' THR . 15.5 m 65.58 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.576 HG23 ' CE1' ' A' ' 11' ' ' PHE . 6.5 t -146.83 149.48 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.366 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -81.14 152.62 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -136.59 157.18 23.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -117.22 147.83 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.96 114.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.411 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.37 -23.51 10.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' CG ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -62.04 154.03 27.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.389 0.699 . . . . 0.0 109.404 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.667 ' N ' ' HD2' ' A' ' 31' ' ' ASP . 53.4 p -155.01 -151.95 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 28' ' ' SER . 3.4 pp 35.43 -151.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.14 46.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.667 ' HD2' ' N ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -76.73 -54.56 6.47 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.559 ' N ' ' CG ' ' A' ' 31' ' ' ASP . 14.4 t -63.89 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' ASN . 76.5 t -56.59 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 35' ' ' GLN . 65.9 t -58.59 -43.43 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.5 mm-40 -28.24 -45.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 2.5 t-20 -120.22 -12.06 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.6 t-20 86.11 32.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.351 1.032 . . . . 0.0 109.375 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HG ' ' CG ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -36.9 127.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' ILE . 38.1 t0 -82.91 53.7 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.19 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 39' ' ' ASP . 2.7 pt -52.57 -104.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 14' ' ' ARG . 11.7 t70 176.28 116.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.29 -40.79 3.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 35.6 m-85 61.07 128.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.812 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.805 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -33.09 134.07 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.805 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.321 . . -98.56 -169.23 1.76 Allowed 'General case' 1 CA--C 1.666 5.434 1 N-CA-C 69.511 -15.366 . . . . 0.0 69.511 -179.996 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.646 ' SG ' HD23 ' A' ' 50' ' ' LEU 0.419 8.0 p 4.8 172.62 0.0 OUTLIER 'General case' 2 C--N 1.032 -13.232 2 N-CA-C 66.404 -16.517 . . . . 0.0 66.404 -141.224 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -56.96 10.01 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.692 3 C-N-CA 171.662 19.985 . . . . 0.0 110.294 134.198 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' CA ' ' HB2' ' A' ' 92' ' ' CYS . . . 97.61 108.28 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.43 ' HB ' HD22 ' A' ' 50' ' ' LEU . 32.2 m -157.61 -42.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 0.73 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.8 ' C ' ' S1 ' ' A' ' 146' ' ' FES . 0.3 OUTLIER -131.94 -108.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.686 ' O ' ' C ' ' A' ' 52' ' ' CYS . . . -145.84 25.07 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.569 1.168 . . . . 0.0 109.22 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 51' ' ' ALA . 11.6 m -16.99 -64.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.432 1.082 . . . . 0.0 108.248 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 157.24 -51.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.06 57.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.456 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -150.97 -53.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 108.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.416 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 11.9 p-80 -42.67 156.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -165.1 172.83 12.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.2 mp -95.52 107.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.596 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . 2.9 m-85 -116.29 135.52 53.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.642 1.214 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -31.62 142.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.432 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -82.43 11.08 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.402 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 10.9 t-160 -123.62 6.8 8.85 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.497 1.123 . . . . 0.0 109.526 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 10.2 mm -124.78 -44.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.363 1.039 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 59' ' ' PHE . 1.1 m-85 -98.81 -54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 61' ' ' GLN . 5.0 tp10 -41.24 -26.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -85.09 46.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.6 mt -156.16 65.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.95 89.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.57 96.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.371 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.37 116.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.652 1.22 . . . . 0.0 109.301 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 m -119.35 170.07 9.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 t70 -44.59 -42.0 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -64.8 -37.14 86.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -76.72 -43.87 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' ASP . 18.1 p30 -91.85 17.33 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ASP . 3.7 t0 -71.56 -46.59 59.0 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.49 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.0 tpt -87.22 -10.96 51.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.5 tp -110.23 -70.82 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER 83.33 -70.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 ' CA ' ' HB2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -125.16 -26.68 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.597 1.185 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 56' ' ' HIS . . . 62.73 58.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 109' ' ' ASP . 0.7 OUTLIER 31.29 82.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.912 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.54 72.43 1.16 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' HB2' ' CA ' ' A' ' 80' ' ' LEU . 16.7 tp -78.13 84.34 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 0.717 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m -83.74 -171.51 3.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.6 1.187 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.64 -6.51 52.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 59' ' ' PHE . 1.7 ptt180 -127.54 62.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -152.61 172.41 16.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER 178.48 -147.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 33.8 tp -117.59 157.4 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.13 64.95 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.494 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.2 p -176.47 34.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 92' ' ' CYS . 15.5 mm100 -149.53 -51.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 tp -93.61 115.55 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.377 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.26 171.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 108.259 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 7' ' ' ILE . 9.4 mt -62.9 171.78 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 4.2 m -155.86 169.87 23.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.353 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -72.95 -38.05 66.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' ILE . . . -60.23 -28.31 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mtt -76.09 -8.74 57.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 5.5 p-10 -57.94 118.31 5.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 m-20 84.23 18.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.481 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -48.23 162.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.671 1.232 . . . . 0.0 111.104 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 55.2 m -138.41 58.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 11' ' ' PHE . 4.2 m -59.46 128.98 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 1.6 ttp85 -125.64 127.83 46.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 110.246 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 79.8 t -67.62 131.06 92.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 107' ' ' VAL . 18.3 Cg_endo -74.97 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.388 1.73 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.544 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 167.89 162.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.8 ' S1 ' ' C ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -43.93 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' CG1' HD11 ' A' ' 96' ' ' LEU . 1.2 pp -131.95 174.11 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -117.22 156.47 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.4 t -147.77 133.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.39 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 17.7 m170 -100.88 107.85 19.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.54 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' HD12 ' A' ' 40' ' ' ILE . 37.7 t80 -94.33 85.42 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 104' ' ' THR . 22.2 mt -56.18 113.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 2.8 t30 -65.53 -167.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.208 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 40.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -160.55 -41.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.573 1.17 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' THR . . . 133.21 -5.1 4.96 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 2.4 mt-10 -62.29 76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 0.826 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' GLY . 1.2 m -37.36 98.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 1.8 mm? -59.22 -50.23 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.346 1.029 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 2.4 m 65.05 139.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.465 1.103 . . . . 0.0 110.484 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 t -165.87 158.23 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.381 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -116.88 126.42 52.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -120.56 174.6 15.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.599 1.187 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.367 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -105.55 151.48 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.07 111.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.236 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.13 19.58 10.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.075 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.01 117.95 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -150.69 -169.16 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp 59.95 41.89 16.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.163 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.2 mm? 66.08 65.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.0 t0 -115.13 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 9.8 p -43.18 -52.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.47 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 15.9 t -52.48 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 35' ' ' GLN . 82.3 t -46.96 -49.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -33.2 -42.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 49.2 t30 -104.64 -27.16 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 15.3 t30 94.43 23.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -39.37 157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 40' ' ' ILE . 26.2 t0 -54.08 -49.29 69.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 2.5 tp 35.61 60.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.82 93.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.639 1.212 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 110.31 24.27 5.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HA ' ' CG1' ' A' ' 40' ' ' ILE . 5.0 p90 -35.33 148.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.734 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -39.0 132.8 1.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.305 . . -94.38 -170.31 2.24 Favored 'General case' 1 CA--C 1.669 5.539 1 N-CA-C 68.225 -15.843 . . . . 0.0 68.225 -179.982 . . . . . . . . 5 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.643 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 9.19 172.61 0.0 OUTLIER 'General case' 2 C--N 1.02 -13.734 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -140.916 . . . . . . . . 5 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.56 23.56 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.694 3 C-N-CA 171.697 19.999 . . . . 0.0 110.29 134.33 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' OG1' ' A' ' 49' ' ' THR . . . 86.78 100.37 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 49' ' ' THR . 1.2 m -170.65 14.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' O ' ' A' ' 49' ' ' THR . 13.3 mt 53.37 110.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' LEU . . . 162.72 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.245 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.48 ' O ' ' CE ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -107.27 -172.64 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.233 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.1 t -150.56 20.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.0 p -90.16 -17.45 27.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 0.0 110.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.15 -2.26 47.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.416 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -43.02 121.39 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.637 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 mt -145.43 165.6 28.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 106' ' ' ARG . 1.3 mp -109.0 120.87 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 103' ' ' MET . 10.5 m-85 -113.97 120.44 40.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -34.2 124.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.224 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' GLU . 22.6 pt20 -49.63 -33.62 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 18.5 t-160 -60.85 -12.66 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.678 1.236 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 7.1 mt -107.57 -38.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 63.1 t80 -87.41 -58.32 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.16 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.0 pt-20 -35.84 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.394 1.059 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.353 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -84.88 43.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -177.0 78.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.16 68.68 9.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.48 79.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' C ' ' OG1' ' A' ' 71' ' ' THR . 6.3 tt -158.18 146.14 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.649 1.218 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.466 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 1.2 m -156.23 177.63 11.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -22.5 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.08 -48.61 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 71' ' ' THR . 1.9 tp10 -46.98 -38.45 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 76' ' ' ASP . 2.3 p30 -37.85 -43.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.294 0.996 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 77' ' ' MET . 97.4 m-20 45.38 98.74 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.4 tmm? 82.71 -50.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.446 1.091 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -38.31 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 -61.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -137.27 -31.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' TYR . . . 39.75 68.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.4 t80 35.25 68.65 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.37 61.63 7.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.143 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -53.69 135.09 41.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -164.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.09 -4.18 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' PHE . 2.2 ptt180 -126.5 59.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 t -155.49 151.42 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.052 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 12.7 ttt85 -137.88 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 1.3 tm? 66.16 -68.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 89' ' ' ARG . . . 139.38 164.7 9.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' ILE . 12.1 p 44.12 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 19.0 mt-30 66.36 -63.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -43.92 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.4 m -65.53 162.63 17.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 97' ' ' THR . 1.9 mt -68.16 149.64 49.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 17.0 p -158.54 173.76 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.352 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -67.32 -39.4 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.21 76.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.4 mtt -88.56 3.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 23.4 t70 -62.45 102.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.8 m-20 85.33 25.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.573 ' HE3' ' CD1' ' A' ' 59' ' ' PHE . 17.0 ptm -69.31 136.1 51.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 12' ' ' ILE . 26.8 m -95.04 89.69 5.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.118 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 11' ' ' PHE . 10.1 m -82.79 120.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 58' ' ' ILE . 14.2 ttt180 -128.97 137.06 51.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 28.8 m -65.22 144.07 98.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.484 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 18.7 Cg_endo -74.89 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -162.89 134.93 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.347 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.41 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.889 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.886 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.64 137.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 153.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.9 t70 -38.34 -59.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.51 -171.36 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.05 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -44.01 -23.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.39 -72.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.886 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.9 109.26 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -122.69 163.07 20.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.91 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 pp -135.94 166.39 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -118.19 157.51 26.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG13 HG13 ' A' ' 105' ' ' VAL . 53.6 t -150.98 148.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -115.9 110.99 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.619 1.199 . . . . 0.0 109.567 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CG ' ' CG2' ' A' ' 105' ' ' VAL . 28.4 m-85 -94.41 127.3 40.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 106' ' ' ARG . 9.5 mt -98.56 135.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.4 1.062 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -91.74 -165.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.59 39.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -157.97 -39.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.07 14.54 4.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.399 1.062 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.7 mt-10 -82.69 70.65 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 0.816 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.6 m -36.48 120.38 0.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.7 mm? -83.12 -46.16 13.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 33.5 m 66.91 136.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.393 1.058 . . . . 0.0 110.52 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 11' ' ' PHE . 4.0 t -157.81 152.04 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -93.88 142.9 26.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -128.1 173.47 18.94 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.55 1.156 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -120.85 129.35 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.399 0.705 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' O ' ' A' ' 5' ' ' ASP . 1.8 tt -56.86 110.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.19 19.92 11.04 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.412 1.07 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.2 OUTLIER -54.84 172.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.9 172.06 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.898 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 mp 51.97 61.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.187 . . . . 0.0 109.382 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.739 HD22 ' CB ' ' A' ' 92' ' ' CYS . 4.0 mm? 63.93 -82.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 52.36 -163.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' VAL . 92.9 t 48.88 -90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -39.72 -45.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG22 ' HE2' ' A' ' 43' ' ' PHE . 50.4 t -79.17 -51.67 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.591 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 42.1 t-20 -110.48 -31.26 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 34.7 t30 88.85 32.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.386 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -32.56 133.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.198 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.94 67.32 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.678 HG13 HD12 ' A' ' 38' ' ' LEU . 14.5 mt -143.42 92.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -58.14 156.51 9.51 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.589 1.181 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.48 -28.19 7.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' HE2' HG22 ' A' ' 34' ' ' VAL . 21.9 p90 -37.32 101.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.677 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 49.95 176.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 52' ' ' CYS 0.281 . . 154.76 -172.6 0.0 OUTLIER 'General case' 1 CA--C 1.676 5.791 1 N-CA-C 66.112 -16.625 . . . . 0.0 66.112 179.92 . . . . . . . . 5 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' N ' ' A' ' 50' ' ' LEU 0.42 8.1 p 18.72 172.58 0.0 OUTLIER 'General case' 2 C--N 1.001 -14.56 3 N-CA-C 66.398 -16.519 . . . . 0.0 66.398 -141.678 . . . . . . . . 5 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 48' ' ' GLY . 72.7 mt-10 -63.93 66.21 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.686 3 C-N-CA 171.745 20.018 . . . . 0.0 110.274 133.553 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 31.36 48.22 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.605 1.19 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.57 8.55 8.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.475 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 14.1 mt 56.16 110.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 166.13 -30.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 27.6 p -78.8 -44.84 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 54' ' ' THR . 22.5 p 59.59 75.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 53' ' ' SER . 3.9 p -160.55 -36.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 54' ' ' THR . 25.4 p -56.0 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 108.262 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER 73.89 153.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.601 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -167.11 163.89 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -78.68 116.24 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 105' ' ' VAL . 8.3 m-85 -117.27 141.87 47.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PHE . 5.3 mm-40 -30.15 112.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.5 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 5.6 pt20 -48.18 -43.78 32.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.526 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 51.5 t60 -61.13 -9.76 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 99' ' ' ALA . 42.6 mm -103.99 -43.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.552 1.157 . . . . 0.0 109.352 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD23 ' A' ' 67' ' ' LEU . 18.3 t80 -81.3 -65.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.38 1.05 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm-40 -27.46 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -79.23 55.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.811 HD23 ' HA ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -173.1 150.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.629 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.3 mt-10 -44.01 116.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 70' ' ' ILE . . . -88.95 -174.24 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER 47.49 -173.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 70' ' ' ILE . 44.4 m -125.37 175.26 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.554 ' H ' HG22 ' A' ' 71' ' ' THR . 2.1 t70 -42.69 -64.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -78.83 36.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.699 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 19.1 mm-40 60.51 42.59 14.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.699 ' CB ' ' O ' ' A' ' 74' ' ' GLU . 12.2 p-10 103.91 33.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 73' ' ' GLU . 7.3 t0 -38.24 -67.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 111.027 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-20 67.66 3.47 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -174.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.617 ' OG ' ' CD2' ' A' ' 56' ' ' HIS . 32.8 t -70.97 164.39 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.641 ' CZ ' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -166.7 164.91 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' HB2' ' A' ' 93' ' ' GLN . 11.9 tp -58.95 152.57 19.33 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.54 68.86 0.5 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.497 1.123 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.739 ' CB ' HD22 ' A' ' 30' ' ' LEU . 1.2 p -174.96 -44.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.643 ' HB2' HD23 ' A' ' 90' ' ' LEU . 35.2 mt-30 -90.37 -47.09 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.217 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.641 HG21 ' CZ ' ' A' ' 89' ' ' ARG . 1.5 pp -72.75 104.04 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 22.4 m -55.53 160.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.178 . . . . 0.0 108.254 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 7' ' ' ILE . 11.4 mt -57.5 172.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 m -155.4 167.48 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -61.95 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.8 mtt -94.95 -4.31 46.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 28.2 t70 -51.57 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 32.7 t30 82.85 41.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.493 ' HG2' HG22 ' A' ' 9' ' ' VAL . 1.4 ptt? -91.8 149.12 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 12' ' ' ILE . 29.5 m -96.32 105.45 17.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 110.319 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 59' ' ' PHE . 16.7 m -92.29 120.04 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.9 tmt_? -124.9 136.19 53.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.62 132.98 23.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -7.73 19.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.577 1.83 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.22 119.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 25' ' ' ILE . 34.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -127.78 163.24 24.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.946 HD11 ' CD2' ' A' ' 96' ' ' LEU . 9.2 pt -140.29 137.28 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -83.85 152.3 24.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.974 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.5 t -147.0 156.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 1.083 ' CD2' HG23 ' A' ' 18' ' ' THR . 16.0 t-160 -123.37 123.53 40.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 49.1 m-85 -112.25 90.88 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.762 HD12 ' HB2' ' A' ' 106' ' ' ARG . 48.2 mt -61.88 118.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.603 1.189 . . . . 0.0 109.4 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -69.65 167.26 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -52.38 -32.65 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.662 1.226 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -34.03 16.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.87 7.17 8.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.635 ' O ' HD22 ' A' ' 19' ' ' LEU . 63.4 mt-10 -68.44 75.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.083 HG23 ' CD2' ' A' ' 10' ' ' HIS . 26.9 m -28.79 126.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 ' O ' ' A' ' 17' ' ' GLU . 2.8 mm? -93.55 -53.53 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m 63.38 131.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.528 ' HB ' HD13 ' A' ' 38' ' ' LEU . 2.8 t -156.01 154.6 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -101.21 122.57 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -102.01 173.87 23.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.19 140.73 49.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 0.783 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 5' ' ' ASP . 19.8 tt -66.82 111.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 112.62 4.51 24.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -44.45 166.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 83.7 p -118.64 -168.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 29' ' ' LEU . 2.7 pp -38.37 129.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 45.28 -100.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.201 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 65.9 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.48 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.1 t -33.6 -38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' ASN . 80.8 t -62.25 -60.17 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ASN . 22.6 t -75.03 -54.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.067 . . . . 0.0 109.182 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.71 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.348 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -110.61 -27.54 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 82.47 17.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 11' ' ' PHE . 4.7 tp -41.2 159.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.71 62.1 0.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 1.4 pt -89.26 85.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -46.25 116.16 1.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.551 1.157 . . . . 0.0 109.229 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' ' HB ' ' A' ' 54' ' ' THR . . . 104.09 24.0 7.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 25.2 p90 -38.78 155.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 54' ' ' THR . . . -49.58 102.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.346 . . -62.63 -167.86 0.02 OUTLIER 'General case' 1 CA--C 1.66 5.191 1 N-CA-C 71.404 -14.665 . . . . 0.0 71.404 179.913 . . . . . . . . 4 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 50' ' ' LEU 0.417 8.3 p -0.77 172.61 0.0 OUTLIER 'General case' 2 C--N 1.049 -12.49 2 N-CA-C 66.431 -16.507 . . . . 0.0 66.431 -141.75 . . . . . . . . 5 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.9 mt-10 -49.6 -6.51 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.678 3 C-N-CA 171.661 19.984 . . . . 0.0 110.33 134.074 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 115.47 179.0 18.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.571 1.169 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 48' ' ' GLY . 56.7 m 73.0 35.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 0.718 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -147.5 -137.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.625 ' H ' HD23 ' A' ' 50' ' ' LEU . . . -160.63 30.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.648 ' N ' HD23 ' A' ' 50' ' ' LEU . 4.3 p -58.79 -116.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 0.0 108.238 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 35.1 m -174.36 30.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 42' ' ' GLY . 1.2 p -110.81 -11.89 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 19.9 p -109.71 -11.08 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 55' ' ' CYS . 15.4 t-160 -36.39 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.08 . . . . 0.0 109.535 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.2 mp 50.79 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -103.16 111.76 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.428 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -112.05 128.35 56.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.11 146.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.41 1.068 . . . . 0.0 110.326 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.45 -12.51 53.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.486 ' O ' HD13 ' A' ' 63' ' ' ILE . 45.5 t-80 -78.35 -5.12 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 62' ' ' HIS . 40.0 mm -123.59 -48.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -54.4 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -48.39 -21.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -85.73 45.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -151.28 83.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -83.63 69.22 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.07 137.83 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -140.12 -164.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 72' ' ' ASP . 33.0 m -112.27 177.82 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 71' ' ' THR . 3.8 t70 -47.52 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -82.48 30.24 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 70' ' ' ILE . 10.7 mt-10 51.63 34.62 13.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.602 1.189 . . . . 0.0 110.366 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -86.31 -81.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.6 1.188 . . . . 0.0 109.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.552 ' CA ' ' OG1' ' A' ' 71' ' ' THR . 16.3 t70 46.61 64.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.595 ' HG3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -15.01 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -137.75 69.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.0 t -173.21 140.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.922 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.348 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 77' ' ' MET . 0.4 OUTLIER -169.68 143.85 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.33 28.39 0.56 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 6.2 p -100.36 -46.49 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.58 ' CD ' HD22 ' A' ' 90' ' ' LEU . 7.3 pt20 -76.96 54.2 1.0 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.427 1.079 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -164.48 164.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 p -102.12 168.47 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 108.21 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.946 ' CD2' HD11 ' A' ' 7' ' ' ILE . 7.1 mt -66.06 162.91 18.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.369 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.53 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.3 m -156.08 170.12 22.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.397 1.061 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.97 -42.81 37.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.08 -20.66 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.609 ' O ' ' C ' ' A' ' 101' ' ' ASP . 4.1 mtp -90.84 -50.33 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.609 ' C ' ' O ' ' A' ' 100' ' ' MET . 57.0 t0 -22.1 115.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.448 1.092 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.3 t-20 88.14 29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.974 ' HG2' HG22 ' A' ' 9' ' ' VAL . 10.8 ptm -89.69 123.95 34.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.763 HG23 ' ND1' ' A' ' 10' ' ' HIS . 87.5 m -93.17 98.05 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 3.7 m -94.47 128.53 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.1 ttt85 -125.9 135.39 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -80.48 144.03 56.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.1 Cg_endo -75.06 177.05 9.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.5 t0 177.69 91.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.888 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.885 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.62 137.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 154.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.8 t70 -38.39 -59.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.5 -171.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.07 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -43.96 -23.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.41 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.885 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.91 109.28 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -99.69 167.05 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.718 ' CG1' HD13 ' A' ' 96' ' ' LEU . 1.7 pp -134.78 166.61 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 94.2 m -114.96 165.73 12.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 7.7 t -152.0 155.44 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.425 ' CD2' ' OG1' ' A' ' 20' ' ' THR . 18.1 m80 -131.43 114.16 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.562 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 62.5 t80 -102.68 115.8 31.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 106' ' ' ARG . 16.4 mt -82.23 109.48 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.527 ' ND2' HD21 ' A' ' 19' ' ' LEU . 2.0 t-20 -59.54 159.36 8.43 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.359 1.037 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -52.88 -24.97 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.84 -24.79 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.43 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.22 16.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.636 1.21 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' THR . 18.9 mt-10 -79.0 70.56 5.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.456 0.739 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.9 m -34.39 126.95 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 11' ' ' PHE . 2.8 mm? -95.07 -51.93 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.425 ' OG1' ' CD2' ' A' ' 10' ' ' HIS . 2.1 m 63.7 137.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 32' ' ' VAL . 14.7 t -161.03 150.52 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -86.0 150.43 24.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -138.43 158.39 24.91 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.612 1.195 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 96' ' ' LEU . . . -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.41 117.36 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.37 14.05 15.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -107.65 145.15 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.4 p -100.18 156.62 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 91' ' ' GLY . 1.1 tt -42.13 -49.86 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.68 HD21 ' HA3' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -55.73 -42.69 75.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 35' ' ' GLN . 65.3 m-20 -65.05 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 21' ' ' THR . 88.0 t -37.34 -48.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 38' ' ' LEU . 41.6 t -61.54 -72.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 30' ' ' LEU . 87.3 t -46.23 -30.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.064 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.3 mt-30 -55.41 -29.41 58.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -128.03 4.98 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' VAL . 8.8 m-20 63.27 28.07 15.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.881 ' HB3' HG13 ' A' ' 33' ' ' VAL . 8.7 tt -41.15 157.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.193 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.69 ' N ' HD23 ' A' ' 38' ' ' LEU . 41.6 t0 -92.1 59.32 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.744 ' CG2' HG11 ' A' ' 33' ' ' VAL . 18.6 tt -73.63 82.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -48.7 105.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.96 -60.34 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.581 1.175 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 54.0 t80 55.48 163.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.68 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . -72.09 130.19 16.19 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.301 . . -101.32 -170.55 1.85 Allowed 'General case' 1 CA--C 1.669 5.551 1 N-CA-C 67.948 -15.945 . . . . 0.0 67.948 -179.977 . . . . . . . . 5 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 49' ' ' THR . 8.0 p 9.71 5.72 0.0 OUTLIER 'General case' 1 C--N 1.019 -13.799 1 C-N-CA 153.747 12.819 . . . . 0.0 113.383 -140.923 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER 55.9 65.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.064 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 34.66 80.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' THR . 0.6 OUTLIER -156.09 18.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 0.781 . . . . 0.0 110.414 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 90' ' ' LEU . 37.6 mt 46.33 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.38 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 21.4 p -71.35 -41.7 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 p 60.38 42.87 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.915 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -117.94 -28.94 5.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -62.69 134.85 56.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.219 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.4 OUTLIER -176.62 117.05 0.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 106' ' ' ARG . 1.6 mm? -128.95 164.21 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.683 HG21 HH21 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -99.45 106.37 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' ARG . 7.8 m-85 -104.13 134.15 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' CB ' HD12 ' A' ' 63' ' ' ILE . 1.4 mt-10 -38.7 119.88 0.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.523 1.139 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 21.6 pt20 -50.31 -26.39 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 56.9 t-80 -63.92 -9.99 18.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.544 1.153 . . . . 0.0 109.649 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.603 HG21 ' HG3' ' A' ' 100' ' ' MET . 6.1 mt -112.81 -49.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 9.8 t80 -71.89 -57.12 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.03 -26.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -59.28 -16.59 22.49 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 109.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LYS . 1.8 mm? -116.73 66.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.407 1.067 . . . . 0.0 109.384 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 72.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -155.59 104.27 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' C ' ' OG1' ' A' ' 71' ' ' THR . 5.1 tt -174.96 130.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' GLU . 7.2 m -156.15 172.56 18.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -37.11 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' THR . 1.3 tt0 -78.57 -68.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -40.53 -51.45 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' MET . 1.6 m-20 -42.82 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 73' ' ' GLU . 1.2 m-20 43.58 -90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 75' ' ' ASN . 18.0 tpp . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 86' ' ' ASP . 58.0 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 85' ' ' THR . 23.9 t0 -120.1 -2.32 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.381 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -135.14 50.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.237 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.7 t -150.28 121.03 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.553 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -132.21 145.92 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 92' ' ' CYS . 0.7 OUTLIER -44.45 119.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.215 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.716 ' O ' HD22 ' A' ' 29' ' ' LEU . . . -108.37 93.79 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 90' ' ' LEU . 24.9 p 177.1 -37.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -56.76 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 94' ' ' ILE . 10.8 tp -42.36 122.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.27 166.84 17.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 108.408 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 ' CG1' ' A' ' 7' ' ' ILE . 10.3 mt -65.01 158.38 25.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.411 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 9.5 m -158.0 170.82 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.59 51.38 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 109.301 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.89 -42.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.603 ' HG3' HG21 ' A' ' 63' ' ' ILE . 8.5 mtt -83.68 22.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -72.48 109.86 6.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.1 m-20 84.04 17.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 11.5 ptt? -60.72 133.3 55.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 49.6 m -94.99 94.05 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.706 HG13 ' HG3' ' A' ' 103' ' ' MET . 34.9 m -90.64 125.24 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.524 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 ttm180 -120.61 135.69 55.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 5.7 p -97.28 138.49 21.19 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.5 Cg_endo -75.01 -175.42 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.378 1.725 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.42 84.97 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.174 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -113.96 167.94 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 109.371 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.862 HD12 ' N ' ' A' ' 8' ' ' THR . 1.6 pp -135.52 -170.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.862 ' N ' HD12 ' A' ' 7' ' ' ILE . 93.9 m -143.54 156.11 44.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.869 HG22 ' HG2' ' A' ' 103' ' ' MET . 53.4 t -140.69 166.96 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.521 ' N ' HG12 ' A' ' 9' ' ' VAL . 23.5 m-70 -140.98 102.21 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 109.556 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.107 ' CD2' HD21 ' A' ' 38' ' ' LEU . 16.9 t80 -91.68 116.41 28.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.515 HD11 ' CG2' ' A' ' 104' ' ' THR . 21.3 mt -87.72 99.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.378 1.049 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' HB2' HD21 ' A' ' 19' ' ' LEU . 49.3 t30 -58.27 163.44 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -51.52 -31.89 25.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.3 -27.6 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.29 9.67 33.31 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.4 mm-40 -75.52 70.0 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 17' ' ' GLU . 2.1 m -30.8 123.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.921 HD23 ' CD2' ' A' ' 11' ' ' PHE . 3.6 mm? -89.69 -48.86 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.9 m 65.36 141.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 9' ' ' VAL . 13.0 t -157.11 161.19 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -123.48 121.8 36.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.034 ' HA3' HG23 ' A' ' 32' ' ' VAL . . . -114.63 -165.87 15.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -128.35 143.96 51.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.19 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.1 tt -57.65 99.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.16 -6.21 6.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -67.72 121.3 15.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -134.76 -172.35 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 0.0 109.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.02 34.1 24.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' CA ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER 60.95 63.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 32' ' ' VAL . 29.7 t0 -101.66 -56.58 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.034 HG23 ' HA3' ' A' ' 23' ' ' GLY . 1.5 p -31.44 -50.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.883 HG13 ' HB3' ' A' ' 38' ' ' LEU . 2.6 t -67.48 -70.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -38.95 -52.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.7 mt-30 -37.84 -41.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -99.48 -23.47 15.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.2 t30 83.24 36.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.107 HD21 ' CD2' ' A' ' 11' ' ' PHE . 4.7 tt -46.51 170.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 38' ' ' LEU . 1.5 t70 -122.33 61.34 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 43' ' ' PHE . 10.6 tt -93.28 63.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ILE . 34.7 t70 38.08 66.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.357 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 64.09 62.82 4.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.8 ' HA ' HG23 ' A' ' 40' ' ' ILE . 17.2 p90 -28.37 134.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.783 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.732 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 53.05 66.34 2.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB3' ' SG ' ' A' ' 52' ' ' CYS 0.39 . . -58.46 -165.81 0.0 OUTLIER 'General case' 1 CA--C 1.648 4.726 1 N-CA-C 74.847 -13.39 . . . . 0.0 74.847 179.871 . . . . . . . . 5 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.732 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.418 8.1 p -9.49 172.59 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.233 2 N-CA-C 66.368 -16.531 . . . . 0.0 66.368 -143.382 . . . . . . . . 5 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' C ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -51.89 9.05 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.671 3 C-N-CA 171.721 20.008 . . . . 0.0 110.195 134.406 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.496 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 98.99 111.99 3.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.55 ' CB ' HD22 ' A' ' 50' ' ' LEU . 17.1 m -152.91 -50.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.739 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -175.26 -70.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.608 ' H ' HD23 ' A' ' 50' ' ' LEU . . . -71.92 -106.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 32.06 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.856 ' OG ' ' HB3' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -80.2 63.85 4.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 53' ' ' SER . 1.7 p -158.97 43.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.484 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -126.25 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 108.245 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.652 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -88.95 -76.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER 80.08 -179.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.706 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -45.32 120.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -83.58 171.68 13.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -73.25 3.71 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.7 tt0 84.18 -51.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 11.9 t-160 -65.03 -2.96 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.559 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 59' ' ' PHE . 10.2 mm -101.16 -47.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.918 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.4 t80 -95.82 -52.3 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.64 -25.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -81.15 47.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -166.63 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.65 65.77 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' H ' HD12 ' A' ' 67' ' ' LEU . . . -163.1 128.58 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.396 1.06 . . . . 0.0 109.271 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' OG1' ' A' ' 71' ' ' THR . 8.5 tt -173.73 130.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.6 m -157.09 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 71' ' ' THR . 1.0 OUTLIER -38.86 -31.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -75.37 -64.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -48.57 -53.65 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 77' ' ' MET . 5.2 m120 -38.16 -61.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 73' ' ' GLU . 16.4 m-20 44.86 -94.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.58 ' CG ' ' HA ' ' A' ' 50' ' ' LEU . 2.3 mpp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.49 4.35 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 59' ' ' PHE . 3.2 ptt180 -128.15 51.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -156.49 133.73 10.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.33 93.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.02 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.601 1.188 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.493 ' HA2' ' HE3' ' A' ' 77' ' ' MET . . . 30.79 72.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.496 ' SG ' ' HA2' ' A' ' 48' ' ' GLY . 15.1 p -81.45 66.26 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -162.77 32.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.92 148.65 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.23 153.71 21.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -55.27 171.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 98' ' ' LYS . 28.4 m -148.19 174.31 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' H ' HG22 ' A' ' 97' ' ' THR . . . -79.69 -38.56 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.413 ' O ' HD11 ' A' ' 63' ' ' ILE . . . -61.24 -33.33 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.415 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 47.5 mtt -76.45 3.16 11.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 46.3 t0 -61.76 104.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 90.54 33.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.869 ' HG2' HG22 ' A' ' 9' ' ' VAL . 4.4 ptt? -76.54 127.73 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.515 ' CG2' HD11 ' A' ' 12' ' ' ILE . 89.0 m -97.35 93.54 6.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.243 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.706 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 15.7 m -87.41 133.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -127.66 110.97 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 57' ' ' LEU . 4.5 t -55.16 108.73 1.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.661 1.225 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.566 1.824 . . . . 0.0 111.033 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' ALA . 0.3 OUTLIER 173.26 43.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.856 ' HB3' ' OG ' ' A' ' 53' ' ' SER . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.1 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -129.45 162.83 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' A' ' 96' ' ' LEU . 3.4 pt -128.98 169.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' VAL . 58.1 m -113.12 168.04 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.3 t -160.88 153.13 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' VAL . 10.9 m-70 -126.51 114.85 18.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.358 1.036 . . . . 0.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 69.0 m-85 -102.5 127.06 49.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.973 HD12 ' HB2' ' A' ' 106' ' ' ARG . 23.5 mt -95.26 129.05 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -83.46 -169.08 2.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -86.11 45.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -164.28 -39.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.81 17.4 3.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.1 mm-40 -87.25 71.67 10.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.4 m -36.23 118.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 38' ' ' LEU . 2.7 mm? -82.37 -46.4 13.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 45.3 m 65.39 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -171.22 152.81 3.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.82 148.56 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -133.42 170.25 22.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.28 133.97 55.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 0.771 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.5 tt -60.68 110.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 11.57 20.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.44 172.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.3 p -179.91 163.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' LEU . 4.5 mm? 60.56 44.13 12.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 109.218 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 47' ' ' GLU . 2.6 mp 39.32 76.37 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.567 1.167 . . . . 0.0 109.218 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.616 ' O ' ' C ' ' A' ' 32' ' ' VAL . 21.2 t0 -98.62 -60.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 31' ' ' ASP . 69.4 t -21.71 -65.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.85 HG13 ' H ' ' A' ' 34' ' ' VAL . 1.8 p -42.65 -72.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.85 ' H ' HG13 ' A' ' 33' ' ' VAL . 45.3 t -53.17 -43.84 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.625 1.203 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -30.0 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 6.8 t30 -116.8 -16.53 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 27.2 t30 82.0 30.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -46.51 171.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.47 -57.24 4.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 41' ' ' ASP . 40.2 mm 52.43 -108.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.636 ' N ' HG22 ' A' ' 40' ' ' ILE . 8.7 t70 178.11 174.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.43 53.91 1.54 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 41' ' ' ASP . 15.8 m-30 -107.47 -168.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.603 0.825 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.848 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . 68.15 47.49 58.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.848 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.33 . . -92.06 -168.88 2.1 Favored 'General case' 1 CA--C 1.664 5.329 1 N-CA-C 70.023 -15.177 . . . . 0.0 70.023 179.971 . . . . . . . . 5 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 3.24 172.55 0.0 OUTLIER 'General case' 2 C--N 1.036 -13.055 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -141.283 . . . . . . . . 5 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.607 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.4 mt-10 -42.71 -26.11 0.11 Allowed 'General case' 1 C--N 1.021 -13.708 3 C-N-CA 171.63 19.972 . . . . 0.0 110.305 133.868 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 92' ' ' CYS . . . 138.46 2.3 2.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.458 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 18.8 m -36.11 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 0.74 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.74 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER 84.56 122.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 50' ' ' LEU . . . 87.93 36.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -68.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.579 1.174 . . . . 0.0 108.382 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -115.67 -169.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.994 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 43' ' ' PHE . 53.0 p -64.49 -115.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 7.1 m 83.69 42.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -118.34 119.03 33.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mp -142.08 157.81 44.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.733 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 0.1 OUTLIER -71.43 150.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 10.5 m-85 -140.3 137.54 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 44.6 mt-10 -42.26 123.99 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.8 tt0 -55.0 -33.16 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 57.6 t-80 -88.83 22.7 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.806 HG23 ' HB1' ' A' ' 99' ' ' ALA . 27.9 mm -127.73 -52.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -90.51 -58.31 2.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -41.35 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.374 1.046 . . . . 0.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.769 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -77.0 42.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -150.66 157.77 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -116.08 75.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.65 130.37 4.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.395 1.059 . . . . 0.0 109.201 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.763 ' CG1' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tt -173.45 -175.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 72' ' ' ASP . 30.8 m -122.07 -172.33 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.84 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -14.39 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -150.45 48.25 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HA ' ' CG1' ' A' ' 70' ' ' ILE . 1.1 pt-20 91.84 30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.512 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 17.8 t-20 -82.56 -94.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.587 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.4 OUTLIER 36.39 32.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.237 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.587 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 6.6 tpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' ARG . 87.0 m . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.601 ' N ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -38.92 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 88' ' ' SER . 0.2 OUTLIER 172.55 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.733 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER 56.32 145.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -163.39 -155.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 92' ' ' CYS . 0.8 OUTLIER -97.36 144.13 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.61 58.43 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.444 1.09 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.944 ' O ' HG23 ' A' ' 94' ' ' ILE . 30.9 m -144.0 161.77 37.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.541 HE22 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 36.73 32.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.218 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.944 HG23 ' O ' ' A' ' 92' ' ' CYS . 1.1 pt -129.43 86.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 19.5 m -50.62 162.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 108.359 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 7' ' ' ILE . 12.1 mt -68.28 167.54 14.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 98' ' ' LYS . 51.1 m -158.14 174.12 15.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.495 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.516 ' H ' HG22 ' A' ' 97' ' ' THR . . . -71.67 -20.78 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.806 ' HB1' HG23 ' A' ' 63' ' ' ILE . . . -69.25 -46.3 67.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 4.1 mtt -78.76 3.9 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 45.3 t0 -59.4 95.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.4 t30 75.54 49.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.695 ' HG2' HG22 ' A' ' 9' ' ' VAL . 9.7 ptt? -98.7 145.35 26.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.556 HG22 HD11 ' A' ' 12' ' ' ILE . 61.3 m -96.33 97.35 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 11' ' ' PHE . 24.2 m -94.48 135.76 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.973 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.8 tmt_? -136.4 144.93 44.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 p -116.8 130.11 24.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -88.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.597 1.841 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -161.45 147.66 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.396 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -120.66 161.97 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.842 HG12 HD13 ' A' ' 96' ' ' LEU . 2.8 pt -125.84 -161.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.416 1.073 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -145.7 156.69 43.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.634 HG22 ' SD ' ' A' ' 103' ' ' MET . 68.9 t -150.67 130.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 104' ' ' THR . 0.2 OUTLIER -103.83 108.85 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.911 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -86.99 77.15 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.328 1.017 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 17' ' ' GLU . 29.0 mt -44.5 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 t-20 -63.01 -151.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HD3' ' CG1' ' A' ' 107' ' ' VAL . 45.6 mmm-85 -117.58 -33.72 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -73.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.66 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -111.6 -10.61 18.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 40.89 110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 0.0 110.374 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 18' ' ' THR . 1.2 m 152.42 26.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 110.386 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' HB2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -35.8 -60.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 13.0 m 65.26 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 32' ' ' VAL . 8.3 t -141.86 146.97 36.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.61 128.37 37.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -114.61 176.98 17.26 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.579 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -122.89 142.4 50.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.398 0.705 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.1 tt -68.46 105.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 129.29 -5.55 6.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -46.4 172.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.66 172.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER 41.09 54.01 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.5 mm? 58.62 114.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.4 t0 -147.98 -153.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.831 HG22 ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER 38.09 -89.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.911 HG21 ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -49.8 -46.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 30' ' ' LEU . 98.9 t -73.67 -59.13 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 32' ' ' VAL . 1.1 pt20 -46.13 -35.98 5.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.65 ' OD1' HD22 ' A' ' 38' ' ' LEU . 4.3 t-20 -78.71 -32.65 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.623 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.6 t30 94.12 10.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD22 ' OD1' ' A' ' 36' ' ' ASN . 0.3 OUTLIER -41.05 161.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.47 71.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.689 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.5 pp -67.25 90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -88.41 89.84 8.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.13 -37.98 3.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.972 ' CD1' HD11 ' A' ' 57' ' ' LEU . 20.1 m-85 -47.88 109.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.628 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 62.95 153.25 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.316 . . 177.56 -169.6 0.08 Allowed 'General case' 1 CA--C 1.667 5.461 1 N-CA-C 68.975 -15.565 . . . . 0.0 68.975 -179.987 . . . . . . . . 4 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 48' ' ' GLY 0.419 8.1 p 6.22 172.53 0.0 OUTLIER 'General case' 2 C--N 1.028 -13.413 2 N-CA-C 66.39 -16.522 . . . . 0.0 66.39 -140.98 . . . . . . . . 5 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.74 66.78 0.09 Allowed 'General case' 1 C--N 1.021 -13.714 3 C-N-CA 171.564 19.946 . . . . 0.0 110.328 133.808 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.727 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . 124.02 162.02 11.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.867 HG22 ' CD ' ' A' ' 93' ' ' GLN . 4.6 t -83.95 121.12 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.711 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER 171.14 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.383 1.052 . . . . 0.0 109.246 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -86.25 -97.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.556 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.8 p -29.79 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 108.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . 34.3 p 42.04 66.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -166.19 -93.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.4 p 38.12 31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 57' ' ' LEU . 7.3 p80 -75.65 -172.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.688 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER 163.96 166.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.218 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -92.06 107.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.231 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.737 ' HE1' HD13 ' A' ' 63' ' ' ILE . 1.1 t80 -110.09 143.7 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.985 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -42.08 118.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -51.84 -19.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.0 t60 -79.87 4.49 16.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 60' ' ' GLU . 4.4 mt -126.97 -50.42 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.65 ' CG ' ' HB3' ' A' ' 59' ' ' PHE . 2.3 m-30 -80.15 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.86 -24.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -60.95 -22.18 64.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm? -49.74 159.37 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -85.04 65.78 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . 70.03 173.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 70' ' ' ILE . 14.7 tt -143.09 113.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 m -119.36 175.18 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -50.81 -23.48 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -39.65 16.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . 1.3 tm-20 -73.76 -38.47 64.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.63 1.206 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 72' ' ' ASP . 29.0 p30 -89.57 25.34 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.629 ' O ' ' CB ' ' A' ' 77' ' ' MET . 11.8 t70 -69.91 112.88 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.629 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.1 tpt . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.411 1.069 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 86' ' ' ASP . 1.9 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 85' ' ' THR . 1.6 m-20 -90.62 14.44 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -135.47 46.9 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 7.0 t -163.12 143.44 9.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.618 ' HG3' ' CE2' ' A' ' 64' ' ' PHE . 0.3 OUTLIER 174.81 140.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.8 tt -37.31 141.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.16 121.11 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -156.23 -45.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.867 ' CD ' HG22 ' A' ' 49' ' ' THR . 67.8 mt-30 -83.43 -18.47 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 94' ' ' ILE . 1.1 tp -63.33 95.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.3 p -44.8 165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 108.255 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 7' ' ' ILE . 8.0 mt -67.76 169.05 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 98' ' ' LYS . 5.3 m -157.86 177.41 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.527 ' H ' HG22 ' A' ' 97' ' ' THR . . . -74.9 -54.59 6.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 63' ' ' ILE . . . -55.31 -22.98 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.501 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 33.3 mtt -85.67 -1.84 57.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.9 t0 -69.49 112.32 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 3.6 m120 83.5 19.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.667 ' HG3' HG13 ' A' ' 105' ' ' VAL . 2.6 ptt? -63.26 106.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 10' ' ' HIS . 37.9 m -78.15 83.24 4.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 103' ' ' MET . 8.1 m -74.81 130.45 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.727 ' C ' HD23 ' A' ' 57' ' ' LEU . 16.7 ttt180 -129.72 131.88 46.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 8.7 p -71.75 139.54 83.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.4 Cg_endo -74.97 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.634 1.86 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 t70 179.16 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 5' ' ' ASP . . . 48.89 176.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 96' ' ' LEU . 41.7 pt -142.4 -170.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' ASN . 2.7 m -141.71 149.77 40.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' A' ' 103' ' ' MET . 61.7 t -142.88 144.96 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 103' ' ' MET . 26.1 m170 -114.61 119.03 35.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CB ' HD11 ' A' ' 38' ' ' LEU . 22.7 m-85 -101.72 104.8 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.898 HD12 ' HB2' ' A' ' 106' ' ' ARG . 33.1 mt -72.42 121.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -81.91 -170.56 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -86.59 42.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.206 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.43 -39.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.28 16.47 3.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.8 mt-10 -87.59 67.98 9.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 0.759 . . . . 0.0 110.21 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.525 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 0.9 OUTLIER -36.85 106.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CB ' HD21 ' A' ' 38' ' ' LEU . 2.5 mm? -61.43 -49.16 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.448 1.093 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.525 ' OG1' ' CG2' ' A' ' 18' ' ' THR . 15.5 m 65.58 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.781 ' CG2' HG12 ' A' ' 32' ' ' VAL . 6.5 t -146.83 149.48 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.366 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -81.14 152.62 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -136.59 157.18 23.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -117.22 147.83 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 25' ' ' ILE . 18.9 tt -67.96 114.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.37 -23.51 10.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.478 ' CG ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -62.04 154.03 27.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.389 0.699 . . . . 0.0 109.404 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.4 p -155.01 -151.95 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.791 HD12 ' N ' ' A' ' 30' ' ' LEU . 3.4 pp 35.43 -151.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -87.14 46.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CG ' ' N ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -76.73 -54.56 6.47 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.781 HG12 ' CG2' ' A' ' 21' ' ' THR . 14.4 t -63.89 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' ASN . 76.5 t -56.59 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 35' ' ' GLN . 65.9 t -58.59 -43.43 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.5 mm-40 -28.24 -45.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 2.5 t-20 -120.22 -12.06 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.6 t-20 86.11 32.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.351 1.032 . . . . 0.0 109.375 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -36.9 127.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' ILE . 38.1 t0 -82.91 53.7 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.19 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 43' ' ' PHE . 2.7 pt -52.57 -104.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 14' ' ' ARG . 11.7 t70 176.28 116.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.29 -40.79 3.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' HA ' HD11 ' A' ' 40' ' ' ILE . 35.6 m-85 61.07 128.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.812 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.805 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -33.09 134.07 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.805 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.321 . . -98.56 -169.23 1.76 Allowed 'General case' 1 CA--C 1.666 5.434 1 N-CA-C 69.511 -15.366 . . . . 0.0 69.511 -179.996 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 52' ' ' CYS 0.419 8.0 p 4.8 172.62 0.0 OUTLIER 'General case' 2 C--N 1.032 -13.232 2 N-CA-C 66.404 -16.517 . . . . 0.0 66.404 -141.224 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HA ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -56.96 10.01 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.692 3 C-N-CA 171.662 19.985 . . . . 0.0 110.294 134.198 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.494 ' CA ' ' HB2' ' A' ' 92' ' ' CYS . . . 97.61 108.28 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 50' ' ' LEU . 32.2 m -157.61 -42.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 0.73 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.879 ' O ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -131.94 -108.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' HB3' ' A' ' 77' ' ' MET . . . -145.84 25.07 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.569 1.168 . . . . 0.0 109.22 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 11.6 m -16.99 -64.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.432 1.082 . . . . 0.0 108.248 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 157.24 -51.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.06 57.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.456 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -150.97 -53.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 108.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 11.9 p-80 -42.67 156.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -165.1 172.83 12.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 1.2 mp -95.52 107.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HD1' HG12 ' A' ' 105' ' ' VAL . 2.9 m-85 -116.29 135.52 53.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.642 1.214 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -31.62 142.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -82.43 11.08 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -123.62 6.8 8.85 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.497 1.123 . . . . 0.0 109.526 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 99' ' ' ALA . 10.2 mm -124.78 -44.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.363 1.039 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 59' ' ' PHE . 1.1 m-85 -98.81 -54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 61' ' ' GLN . 5.0 tp10 -41.24 -26.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -85.09 46.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.6 mt -156.16 65.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.95 89.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 89' ' ' ARG . . . -155.57 96.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.37 116.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.652 1.22 . . . . 0.0 109.301 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 m -119.35 170.07 9.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 t70 -44.59 -42.0 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -64.8 -37.14 86.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -76.72 -43.87 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -91.85 17.33 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ASP . 3.7 t0 -71.56 -46.59 59.0 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.886 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 10.0 tpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.75 HG22 ' H ' ' A' ' 86' ' ' ASP . 7.7 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.75 ' H ' HG22 ' A' ' 85' ' ' THR . 62.9 m-20 -91.64 -6.51 52.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 59' ' ' PHE . 1.7 ptt180 -127.54 62.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -152.61 172.41 16.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 178.48 -147.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 50' ' ' LEU . 33.8 tp -117.59 157.4 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.13 64.95 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.494 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.2 p -176.47 34.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 92' ' ' CYS . 33.8 mm-40 -149.53 -51.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -93.61 115.55 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.377 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.26 171.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 108.259 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 7' ' ' ILE . 9.4 mt -62.9 171.78 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.609 ' O ' HD13 ' A' ' 7' ' ' ILE . 4.2 m -155.86 169.87 23.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -72.95 -38.05 66.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.236 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.951 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -60.23 -28.31 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mtt -76.09 -8.74 57.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 5.5 p-10 -57.94 118.31 5.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 m-20 84.23 18.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.984 ' HB3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -48.23 162.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.671 1.232 . . . . 0.0 111.104 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.662 HG22 HD11 ' A' ' 12' ' ' ILE . 55.2 m -138.41 58.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.691 HG12 ' HD1' ' A' ' 59' ' ' PHE . 4.2 m -59.46 128.98 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.898 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.6 ttp85 -125.64 127.83 46.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 110.246 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 79.8 t -67.62 131.06 92.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 107' ' ' VAL . 18.3 Cg_endo -74.97 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.388 1.73 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.89 162.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -43.93 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 96' ' ' LEU . 1.2 pp -131.95 174.11 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -117.22 156.47 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 41.4 t -147.77 133.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 105' ' ' VAL . 17.7 m170 -100.88 107.85 19.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.54 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.981 ' CZ ' HD12 ' A' ' 40' ' ' ILE . 37.7 t80 -94.33 85.42 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.565 HG23 ' HA2' ' A' ' 16' ' ' GLY . 22.2 mt -56.18 113.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' OD1' HD21 ' A' ' 19' ' ' LEU . 2.8 t30 -65.53 -167.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.208 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 40.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -160.55 -41.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.573 1.17 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.565 ' HA2' HG23 ' A' ' 12' ' ' ILE . . . 133.21 -5.1 4.96 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.4 mt-10 -62.29 76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 0.826 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' GLY . 1.2 m -37.36 98.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 17' ' ' GLU . 1.8 mm? -59.22 -50.23 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.346 1.029 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 2.4 m 65.05 139.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.465 1.103 . . . . 0.0 110.484 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 t -165.87 158.23 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -116.88 126.42 52.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.811 ' CA ' HG23 ' A' ' 32' ' ' VAL . . . -120.56 174.6 15.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.599 1.187 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -105.55 151.48 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.3 tt -62.07 111.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.236 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.13 19.58 10.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.075 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.01 117.95 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.69 -169.16 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 28' ' ' SER . 5.8 mp 59.95 41.89 16.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.163 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.667 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.2 mm? 66.08 65.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.0 t0 -115.13 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.811 HG23 ' CA ' ' A' ' 23' ' ' GLY . 9.8 p -43.18 -52.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.943 HG21 HD13 ' A' ' 40' ' ' ILE . 15.9 t -52.48 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 35' ' ' GLN . 82.3 t -46.96 -49.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -33.2 -42.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 49.2 t30 -104.64 -27.16 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 15.3 t30 94.43 23.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -39.37 157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 40' ' ' ILE . 26.2 t0 -54.08 -49.29 69.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.981 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 2.5 tp 35.61 60.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.82 93.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.639 1.212 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 110.31 24.27 5.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 40' ' ' ILE . 5.0 p90 -35.33 148.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.734 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -39.0 132.8 1.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.305 . . -94.38 -170.31 2.24 Favored 'General case' 1 CA--C 1.669 5.539 1 N-CA-C 68.225 -15.843 . . . . 0.0 68.225 -179.982 . . . . . . . . 5 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.663 ' SG ' ' SG ' ' A' ' 52' ' ' CYS 0.421 8.0 p 9.19 172.61 0.0 OUTLIER 'General case' 2 C--N 1.02 -13.734 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -140.916 . . . . . . . . 5 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' C ' HD23 ' A' ' 30' ' ' LEU . 39.1 mt-10 -64.56 23.56 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.694 3 C-N-CA 171.697 19.999 . . . . 0.0 110.29 134.33 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' O ' HD23 ' A' ' 29' ' ' LEU . . . 86.78 100.37 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 49' ' ' THR . 1.2 m -170.65 14.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 13.3 mt 53.37 110.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 162.72 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.245 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.742 ' O ' ' HE2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -107.27 -172.64 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.233 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.1 t -150.56 20.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.0 p -90.16 -17.45 27.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 0.0 110.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.15 -2.26 47.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -43.02 121.39 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.637 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 11' ' ' PHE . 12.7 mt -145.43 165.6 28.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 106' ' ' ARG . 1.3 mp -109.0 120.87 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.54 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -113.97 120.44 40.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.647 ' CB ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -34.2 124.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.224 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' GLU . 22.6 pt20 -49.63 -33.62 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -60.85 -12.66 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.678 1.236 . . . . 0.0 109.613 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.647 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.1 mt -107.57 -38.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 63.1 t80 -87.41 -58.32 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.16 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.0 pt-20 -35.84 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.394 1.059 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -84.88 43.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.796 HD11 ' HD2' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -177.0 78.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.16 68.68 9.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.48 79.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' C ' ' OG1' ' A' ' 71' ' ' THR . 6.3 tt -158.18 146.14 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.649 1.218 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.467 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 1.2 m -156.23 177.63 11.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -22.5 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.08 -48.61 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 71' ' ' THR . 1.9 tp10 -46.98 -38.45 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.0 p-10 -37.85 -43.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.294 0.996 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 77' ' ' MET . 97.4 m-20 45.38 98.74 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.742 ' HE2' ' O ' ' A' ' 52' ' ' CYS . 1.4 tmm? . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.446 1.091 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.09 -4.18 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' PHE . 2.2 ptt180 -126.5 59.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 t -155.49 151.42 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.052 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.796 ' HD2' HD11 ' A' ' 67' ' ' LEU . 12.7 ttt85 -137.88 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 91' ' ' GLY . 1.3 tm? 66.16 -68.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 90' ' ' LEU . . . 139.38 164.7 9.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' ILE . 12.1 p 44.12 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 19.0 mt-30 66.36 -63.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -43.92 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.4 m -65.53 162.63 17.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 97' ' ' THR . 1.9 mt -68.16 149.64 49.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 96' ' ' LEU . 17.0 p -158.54 173.76 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -67.32 -39.4 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.21 76.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.4 mtt -88.56 3.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 23.4 t70 -62.45 102.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.8 m-20 85.33 25.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 17.0 ptm -69.31 136.1 51.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.537 ' CG2' HD11 ' A' ' 12' ' ' ILE . 26.8 m -95.04 89.69 5.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.118 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.685 HG13 ' HG3' ' A' ' 103' ' ' MET . 10.1 m -82.79 120.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.888 ' O ' HD12 ' A' ' 58' ' ' ILE . 14.2 ttt180 -128.97 137.06 51.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 28.8 m -65.22 144.07 98.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 Cg_endo -74.89 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -162.89 134.93 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.347 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.889 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.886 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.64 137.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 153.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.9 t70 -38.34 -59.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.51 -171.36 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.05 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -44.01 -23.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 79.6 m-20 -41.39 -72.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -108.65 -40.03 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 77' ' ' MET . 2.6 mp -47.78 -96.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 74.1 -64.01 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.7 tp -155.22 43.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 84' ' ' LEU . . . -47.64 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -32.1 99.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.57 -27.51 5.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -52.99 137.68 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m -133.27 -88.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.518 ' SG ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.886 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.9 109.26 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.546 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -122.69 163.07 20.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.91 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 pp -135.94 166.39 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -118.19 157.51 26.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG13 HG13 ' A' ' 105' ' ' VAL . 53.6 t -150.98 148.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -115.9 110.99 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.619 1.199 . . . . 0.0 109.567 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CG ' ' CG2' ' A' ' 105' ' ' VAL . 28.4 m-85 -94.41 127.3 40.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 106' ' ' ARG . 9.5 mt -98.56 135.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.4 1.062 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -91.74 -165.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.59 39.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -157.97 -39.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.07 14.54 4.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.399 1.062 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.7 mt-10 -82.69 70.65 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 0.816 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.6 m -36.48 120.38 0.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.7 mm? -83.12 -46.16 13.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 33.5 m 66.91 136.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.393 1.058 . . . . 0.0 110.52 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 11' ' ' PHE . 4.0 t -157.81 152.04 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -93.88 142.9 26.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -128.1 173.47 18.94 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.55 1.156 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -120.85 129.35 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.399 0.705 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' O ' ' A' ' 5' ' ' ASP . 1.8 tt -56.86 110.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.19 19.92 11.04 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.412 1.07 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.2 OUTLIER -54.84 172.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.9 172.06 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.898 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 mp 51.97 61.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.187 . . . . 0.0 109.382 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.739 HD22 ' CB ' ' A' ' 92' ' ' CYS . 4.0 mm? 63.93 -82.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 52.36 -163.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' VAL . 92.9 t 48.88 -90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -39.72 -45.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG22 ' HE2' ' A' ' 43' ' ' PHE . 50.4 t -79.17 -51.67 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.591 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 42.1 t-20 -110.48 -31.26 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 34.7 t30 88.85 32.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.386 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -32.56 133.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.198 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.94 67.32 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.678 HG13 HD12 ' A' ' 38' ' ' LEU . 14.5 mt -143.42 92.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -58.14 156.51 9.51 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.589 1.181 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.48 -28.19 7.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' HE2' HG22 ' A' ' 34' ' ' VAL . 21.9 p90 -37.32 101.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.677 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 49.95 176.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 52' ' ' CYS 0.281 . . 154.76 -172.6 0.0 OUTLIER 'General case' 1 CA--C 1.676 5.791 1 N-CA-C 66.112 -16.625 . . . . 0.0 66.112 179.92 . . . . . . . . 5 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' N ' ' A' ' 50' ' ' LEU 0.42 8.1 p 18.72 172.58 0.0 OUTLIER 'General case' 2 C--N 1.001 -14.56 3 N-CA-C 66.398 -16.519 . . . . 0.0 66.398 -141.678 . . . . . . . . 5 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 48' ' ' GLY . 72.7 mt-10 -63.93 66.21 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.686 3 C-N-CA 171.745 20.018 . . . . 0.0 110.274 133.553 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 31.36 48.22 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.605 1.19 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.57 8.55 8.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.475 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 14.1 mt 56.16 110.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 166.13 -30.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 27.6 p -78.8 -44.84 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 54' ' ' THR . 22.5 p 59.59 75.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 53' ' ' SER . 3.9 p -160.55 -36.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 54' ' ' THR . 25.4 p -56.0 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 108.262 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER 73.89 153.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.601 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -167.11 163.89 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -78.68 116.24 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 105' ' ' VAL . 8.3 m-85 -117.27 141.87 47.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PHE . 5.3 mm-40 -30.15 112.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.5 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 5.6 pt20 -48.18 -43.78 32.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.526 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 51.5 t60 -61.13 -9.76 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 99' ' ' ALA . 42.6 mm -103.99 -43.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.552 1.157 . . . . 0.0 109.352 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD23 ' A' ' 67' ' ' LEU . 18.3 t80 -81.3 -65.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.38 1.05 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm-40 -27.46 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -79.23 55.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.811 HD23 ' HA ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -173.1 150.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.629 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.3 mt-10 -44.01 116.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 70' ' ' ILE . . . -88.95 -174.24 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER 47.49 -173.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 70' ' ' ILE . 44.4 m -125.37 175.26 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.554 ' H ' HG22 ' A' ' 71' ' ' THR . 2.1 t70 -42.69 -64.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -78.83 36.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.699 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 19.1 mm-40 60.51 42.59 14.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.699 ' CB ' ' O ' ' A' ' 74' ' ' GLU . 12.2 p-10 103.91 33.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 73' ' ' GLU . 7.3 t0 -38.24 -67.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 78' ' ' LEU . 4.0 tpt -96.1 47.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 75' ' ' ASN . 0.7 OUTLIER -57.36 -161.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.603 ' OD2' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -113.24 -20.66 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' H ' ' CD1' ' A' ' 78' ' ' LEU . 0.2 OUTLIER 47.77 30.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 84' ' ' LEU . . . -122.86 89.5 3.12 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.829 ' O ' HD23 ' A' ' 84' ' ' LEU . 70.3 t80 54.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 82' ' ' TYR . . . -36.25 -53.11 1.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.961 ' HG ' HG23 ' A' ' 85' ' ' THR . 0.1 OUTLIER 40.01 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.961 HG23 ' HG ' ' A' ' 84' ' ' LEU . 41.7 p 51.47 -157.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-20 67.66 3.47 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -174.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.617 ' OG ' ' CD2' ' A' ' 56' ' ' HIS . 32.8 t -70.97 164.39 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.641 ' CZ ' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -166.7 164.91 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' HB2' ' A' ' 93' ' ' GLN . 11.9 tp -58.95 152.57 19.33 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.54 68.86 0.5 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.497 1.123 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.739 ' CB ' HD22 ' A' ' 30' ' ' LEU . 1.2 p -174.96 -44.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.643 ' HB2' HD23 ' A' ' 90' ' ' LEU . 35.2 mt-30 -90.37 -47.09 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.217 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.641 HG21 ' CZ ' ' A' ' 89' ' ' ARG . 1.5 pp -72.75 104.04 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 22.4 m -55.53 160.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.178 . . . . 0.0 108.254 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 7' ' ' ILE . 11.4 mt -57.5 172.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 m -155.4 167.48 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -61.95 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.8 mtt -94.95 -4.31 46.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 28.2 t70 -51.57 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 32.7 t30 82.85 41.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.493 ' HG2' HG22 ' A' ' 9' ' ' VAL . 1.4 ptt? -91.8 149.12 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 12' ' ' ILE . 29.5 m -96.32 105.45 17.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 110.319 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 59' ' ' PHE . 16.7 m -92.29 120.04 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.9 tmt_? -124.9 136.19 53.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.62 132.98 23.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -7.73 19.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.577 1.83 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.22 119.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 25' ' ' ILE . 34.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -127.78 163.24 24.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.946 HD11 ' CD2' ' A' ' 96' ' ' LEU . 9.2 pt -140.29 137.28 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -83.85 152.3 24.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.974 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.5 t -147.0 156.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 1.083 ' CD2' HG23 ' A' ' 18' ' ' THR . 16.0 t-160 -123.37 123.53 40.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 49.1 m-85 -112.25 90.88 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.762 HD12 ' HB2' ' A' ' 106' ' ' ARG . 48.2 mt -61.88 118.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.603 1.189 . . . . 0.0 109.4 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -69.65 167.26 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -52.38 -32.65 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.662 1.226 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -34.03 16.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.87 7.17 8.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.635 ' O ' HD22 ' A' ' 19' ' ' LEU . 63.4 mt-10 -68.44 75.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.083 HG23 ' CD2' ' A' ' 10' ' ' HIS . 26.9 m -28.79 126.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 ' O ' ' A' ' 17' ' ' GLU . 2.8 mm? -93.55 -53.53 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m 63.38 131.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.528 ' HB ' HD13 ' A' ' 38' ' ' LEU . 2.8 t -156.01 154.6 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -101.21 122.57 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -102.01 173.87 23.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.19 140.73 49.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 0.783 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 5' ' ' ASP . 19.8 tt -66.82 111.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 112.62 4.51 24.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -44.45 166.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 83.7 p -118.64 -168.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 29' ' ' LEU . 2.7 pp -38.37 129.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 45.28 -100.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.201 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 65.9 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.48 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.1 t -33.6 -38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' ASN . 80.8 t -62.25 -60.17 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ASN . 22.6 t -75.03 -54.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.067 . . . . 0.0 109.182 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.71 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.348 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -110.61 -27.54 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 82.47 17.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 11' ' ' PHE . 4.7 tp -41.2 159.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.71 62.1 0.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 1.4 pt -89.26 85.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -46.25 116.16 1.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.551 1.157 . . . . 0.0 109.229 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' ' HB ' ' A' ' 54' ' ' THR . . . 104.09 24.0 7.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 25.2 p90 -38.78 155.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 54' ' ' THR . . . -49.58 102.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.346 . . -62.63 -167.86 0.02 OUTLIER 'General case' 1 CA--C 1.66 5.191 1 N-CA-C 71.404 -14.665 . . . . 0.0 71.404 179.913 . . . . . . . . 4 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 50' ' ' LEU 0.417 8.3 p -0.77 172.61 0.0 OUTLIER 'General case' 2 C--N 1.049 -12.49 2 N-CA-C 66.431 -16.507 . . . . 0.0 66.431 -141.75 . . . . . . . . 5 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.9 mt-10 -49.6 -6.51 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.678 3 C-N-CA 171.661 19.984 . . . . 0.0 110.33 134.074 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 115.47 179.0 18.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.571 1.169 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 48' ' ' GLY . 56.7 m 73.0 35.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 0.718 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.763 ' HB3' ' S1 ' ' A' ' 146' ' ' FES . 0.9 OUTLIER -147.5 -137.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.632 ' N ' ' S1 ' ' A' ' 146' ' ' FES . . . -160.63 30.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.648 ' N ' HD23 ' A' ' 50' ' ' LEU . 4.3 p -58.79 -116.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 0.0 108.238 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 35.1 m -174.36 30.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 42' ' ' GLY . 1.2 p -110.81 -11.89 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 56' ' ' HIS . 19.9 p -109.71 -11.08 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 55' ' ' CYS . 15.4 t-160 -36.39 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.08 . . . . 0.0 109.535 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.2 mp 50.79 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -103.16 111.76 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.428 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -112.05 128.35 56.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.11 146.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.41 1.068 . . . . 0.0 110.326 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.45 -12.51 53.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.486 ' O ' HD13 ' A' ' 63' ' ' ILE . 45.5 t-80 -78.35 -5.12 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 62' ' ' HIS . 40.0 mm -123.59 -48.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -54.4 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -48.39 -21.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -85.73 45.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -151.28 83.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -83.63 69.22 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.07 137.83 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -140.12 -164.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 72' ' ' ASP . 33.0 m -112.27 177.82 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 71' ' ' THR . 3.8 t70 -47.52 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -82.48 30.24 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 70' ' ' ILE . 10.7 mt-10 51.63 34.62 13.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.602 1.189 . . . . 0.0 110.366 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -86.31 -81.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.6 1.188 . . . . 0.0 109.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.552 ' CA ' ' OG1' ' A' ' 71' ' ' THR . 16.3 t70 46.61 64.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.595 ' HG3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER 61.53 53.22 3.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -89.9 -128.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.623 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -50.8 -17.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -29.02 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 79' ' ' ASP . . . -153.07 123.85 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.323 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -47.35 173.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.64 -11.27 46.22 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.337 1.023 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 86.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 0.702 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.0 m -105.83 -116.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -15.01 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -137.75 69.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.0 t -173.21 140.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.922 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.348 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 77' ' ' MET . 0.4 OUTLIER -169.68 143.85 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.33 28.39 0.56 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.456 ' HB2' ' HA3' ' A' ' 48' ' ' GLY . 6.2 p -100.36 -46.49 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.58 ' CD ' HD22 ' A' ' 90' ' ' LEU . 7.3 pt20 -76.96 54.2 1.0 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.427 1.079 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -164.48 164.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 p -102.12 168.47 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 108.21 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.946 ' CD2' HD11 ' A' ' 7' ' ' ILE . 7.1 mt -66.06 162.91 18.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.369 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.53 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.3 m -156.08 170.12 22.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.397 1.061 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.97 -42.81 37.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.08 -20.66 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.609 ' O ' ' C ' ' A' ' 101' ' ' ASP . 4.1 mtp -90.84 -50.33 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.609 ' C ' ' O ' ' A' ' 100' ' ' MET . 57.0 t0 -22.1 115.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.448 1.092 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.3 t-20 88.14 29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.974 ' HG2' HG22 ' A' ' 9' ' ' VAL . 10.8 ptm -89.69 123.95 34.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.763 HG23 ' ND1' ' A' ' 10' ' ' HIS . 87.5 m -93.17 98.05 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 3.7 m -94.47 128.53 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.1 ttt85 -125.9 135.39 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -80.48 144.03 56.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.1 Cg_endo -75.06 177.05 9.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.5 t0 177.69 91.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.763 ' S1 ' ' HB3' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.888 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.885 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.62 137.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 154.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.8 t70 -38.39 -59.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.5 -171.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.07 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -43.96 -23.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 79.5 m-20 -41.41 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -108.65 -40.03 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 77' ' ' MET . 2.6 mp -47.78 -96.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 74.1 -64.01 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.7 tp -155.22 43.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 84' ' ' LEU . . . -47.64 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -32.1 99.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.57 -27.51 5.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -52.99 137.68 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m -133.27 -88.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.518 ' SG ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.885 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.91 109.28 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.546 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -99.69 167.05 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.718 ' CG1' HD13 ' A' ' 96' ' ' LEU . 1.7 pp -134.78 166.61 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 94.2 m -114.96 165.73 12.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 7.7 t -152.0 155.44 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.425 ' CD2' ' OG1' ' A' ' 20' ' ' THR . 18.1 m80 -131.43 114.16 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.562 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 62.5 t80 -102.68 115.8 31.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 106' ' ' ARG . 16.4 mt -82.23 109.48 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.527 ' ND2' HD21 ' A' ' 19' ' ' LEU . 2.0 t-20 -59.54 159.36 8.43 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.359 1.037 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -52.88 -24.97 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.84 -24.79 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.43 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.22 16.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.636 1.21 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' THR . 18.9 mt-10 -79.0 70.56 5.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.456 0.739 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.9 m -34.39 126.95 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 11' ' ' PHE . 2.8 mm? -95.07 -51.93 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.425 ' OG1' ' CD2' ' A' ' 10' ' ' HIS . 2.1 m 63.7 137.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 32' ' ' VAL . 14.7 t -161.03 150.52 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -86.0 150.43 24.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -138.43 158.39 24.91 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.612 1.195 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 96' ' ' LEU . . . -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.41 117.36 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.37 14.05 15.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -107.65 145.15 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.4 p -100.18 156.62 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 91' ' ' GLY . 1.1 tt -42.13 -49.86 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD21 ' HA3' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -55.73 -42.69 75.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 35' ' ' GLN . 65.3 m-20 -65.05 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 21' ' ' THR . 88.0 t -37.34 -48.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 38' ' ' LEU . 41.6 t -61.54 -72.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 30' ' ' LEU . 87.3 t -46.23 -30.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.064 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.3 mt-30 -55.41 -29.41 58.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -128.03 4.98 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' VAL . 8.8 m-20 63.27 28.07 15.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.881 ' HB3' HG13 ' A' ' 33' ' ' VAL . 8.7 tt -41.15 157.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.193 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.69 ' N ' HD23 ' A' ' 38' ' ' LEU . 41.6 t0 -92.1 59.32 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.744 ' CG2' HG11 ' A' ' 33' ' ' VAL . 18.6 tt -73.63 82.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -48.7 105.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.96 -60.34 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.581 1.175 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 54.0 t80 55.48 163.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.68 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . -72.09 130.19 16.19 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.301 . . -101.32 -170.55 1.85 Allowed 'General case' 1 CA--C 1.669 5.551 1 N-CA-C 67.948 -15.945 . . . . 0.0 67.948 -179.977 . . . . . . . . 5 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 49' ' ' THR . 8.0 p 9.71 5.72 0.0 OUTLIER 'General case' 1 C--N 1.019 -13.799 1 C-N-CA 153.747 12.819 . . . . 0.0 113.383 -140.923 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER 55.9 65.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.064 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 34.66 80.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' THR . 0.6 OUTLIER -156.09 18.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 0.781 . . . . 0.0 110.414 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 90' ' ' LEU . 37.6 mt 46.33 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.38 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 21.4 p -71.35 -41.7 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 8.5 p 60.38 42.87 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.915 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -117.94 -28.94 5.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -62.69 134.85 56.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.219 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.4 OUTLIER -176.62 117.05 0.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 106' ' ' ARG . 1.6 mm? -128.95 164.21 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.683 HG21 HH21 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -99.45 106.37 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' ARG . 7.8 m-85 -104.13 134.15 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' CB ' HD12 ' A' ' 63' ' ' ILE . 1.4 mt-10 -38.7 119.88 0.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.523 1.139 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 21.6 pt20 -50.31 -26.39 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 56.9 t-80 -63.92 -9.99 18.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.544 1.153 . . . . 0.0 109.649 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.603 HG21 ' HG3' ' A' ' 100' ' ' MET . 6.1 mt -112.81 -49.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 9.8 t80 -71.89 -57.12 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.03 -26.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -59.28 -16.59 22.49 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 109.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LYS . 1.8 mm? -116.73 66.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.407 1.067 . . . . 0.0 109.384 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 72.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -155.59 104.27 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' C ' ' OG1' ' A' ' 71' ' ' THR . 5.1 tt -174.96 130.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' GLU . 7.2 m -156.15 172.56 18.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -37.11 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' THR . 1.3 tt0 -78.57 -68.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -40.53 -51.45 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.93 ' CB ' HD22 ' A' ' 78' ' ' LEU . 1.6 m-20 -42.82 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.632 ' O ' HD23 ' A' ' 78' ' ' LEU . 1.2 m-20 43.58 -90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 75' ' ' ASN . 18.0 tpp -85.92 49.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -74.97 -123.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.487 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.3 m-20 -162.02 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.907 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.6 tm? 68.94 21.38 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 109.386 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.02 151.07 32.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -39.97 153.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 88' ' ' SER . . . 103.79 -39.3 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -67.55 71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 58.0 m -113.32 -107.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.461 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 85' ' ' THR . 23.9 t0 -120.1 -2.32 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.381 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -135.14 50.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.237 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.7 t -150.28 121.03 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.553 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -132.21 145.92 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 92' ' ' CYS . 0.7 OUTLIER -44.45 119.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.215 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.716 ' O ' HD22 ' A' ' 29' ' ' LEU . . . -108.37 93.79 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 90' ' ' LEU . 24.9 p 177.1 -37.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -56.76 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 94' ' ' ILE . 10.8 tp -42.36 122.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.27 166.84 17.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 108.408 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 ' CG1' ' A' ' 7' ' ' ILE . 10.3 mt -65.01 158.38 25.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.411 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 9.5 m -158.0 170.82 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.59 51.38 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 109.301 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.89 -42.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.603 ' HG3' HG21 ' A' ' 63' ' ' ILE . 8.5 mtt -83.68 22.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -72.48 109.86 6.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.1 m-20 84.04 17.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 11.5 ptt? -60.72 133.3 55.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 49.6 m -94.99 94.05 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.706 HG13 ' HG3' ' A' ' 103' ' ' MET . 34.9 m -90.64 125.24 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.524 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 ttm180 -120.61 135.69 55.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 5.7 p -97.28 138.49 21.19 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.5 Cg_endo -75.01 -175.42 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.378 1.725 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.42 84.97 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.174 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -113.96 167.94 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 109.371 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.862 HD12 ' N ' ' A' ' 8' ' ' THR . 1.6 pp -135.52 -170.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.862 ' N ' HD12 ' A' ' 7' ' ' ILE . 93.9 m -143.54 156.11 44.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.869 HG22 ' HG2' ' A' ' 103' ' ' MET . 53.4 t -140.69 166.96 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.521 ' N ' HG12 ' A' ' 9' ' ' VAL . 23.5 m-70 -140.98 102.21 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 109.556 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.107 ' CD2' HD21 ' A' ' 38' ' ' LEU . 16.9 t80 -91.68 116.41 28.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.515 HD11 ' CG2' ' A' ' 104' ' ' THR . 21.3 mt -87.72 99.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.378 1.049 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' HB2' HD21 ' A' ' 19' ' ' LEU . 49.3 t30 -58.27 163.44 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -51.52 -31.89 25.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.3 -27.6 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.29 9.67 33.31 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.4 mm-40 -75.52 70.0 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 17' ' ' GLU . 2.1 m -30.8 123.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.921 HD23 ' CD2' ' A' ' 11' ' ' PHE . 3.6 mm? -89.69 -48.86 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.9 m 65.36 141.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 9' ' ' VAL . 13.0 t -157.11 161.19 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -123.48 121.8 36.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.034 ' HA3' HG23 ' A' ' 32' ' ' VAL . . . -114.63 -165.87 15.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -128.35 143.96 51.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.19 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.1 tt -57.65 99.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.16 -6.21 6.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -67.72 121.3 15.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -134.76 -172.35 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 0.0 109.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.02 34.1 24.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' CA ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER 60.95 63.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 32' ' ' VAL . 29.7 t0 -101.66 -56.58 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.034 HG23 ' HA3' ' A' ' 23' ' ' GLY . 1.5 p -31.44 -50.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.883 HG13 ' HB3' ' A' ' 38' ' ' LEU . 2.6 t -67.48 -70.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -38.95 -52.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.7 mt-30 -37.84 -41.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -99.48 -23.47 15.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.2 t30 83.24 36.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.107 HD21 ' CD2' ' A' ' 11' ' ' PHE . 4.7 tt -46.51 170.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 38' ' ' LEU . 1.5 t70 -122.33 61.34 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 43' ' ' PHE . 10.6 tt -93.28 63.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ILE . 34.7 t70 38.08 66.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.357 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 64.09 62.82 4.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.8 ' HA ' HG23 ' A' ' 40' ' ' ILE . 17.2 p90 -28.37 134.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.783 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.732 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 53.05 66.34 2.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB3' ' SG ' ' A' ' 52' ' ' CYS 0.39 . . -58.46 -165.81 0.0 OUTLIER 'General case' 1 CA--C 1.648 4.726 1 N-CA-C 74.847 -13.39 . . . . 0.0 74.847 179.871 . . . . . . . . 5 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.732 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.418 8.1 p -9.49 172.59 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.233 2 N-CA-C 66.368 -16.531 . . . . 0.0 66.368 -143.382 . . . . . . . . 5 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' C ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -51.89 9.05 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.671 3 C-N-CA 171.721 20.008 . . . . 0.0 110.195 134.406 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.582 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 98.99 111.99 3.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.55 ' CB ' HD22 ' A' ' 50' ' ' LEU . 17.1 m -152.91 -50.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.739 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -175.26 -70.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.608 ' H ' HD23 ' A' ' 50' ' ' LEU . . . -71.92 -106.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 32.06 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.856 ' OG ' ' HB3' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -80.2 63.85 4.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 53' ' ' SER . 1.7 p -158.97 43.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.484 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -126.25 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 108.245 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.652 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -88.95 -76.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER 80.08 -179.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.706 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -45.32 120.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -83.58 171.68 13.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -73.25 3.71 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.7 tt0 84.18 -51.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 11.9 t-160 -65.03 -2.96 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.559 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 59' ' ' PHE . 10.2 mm -101.16 -47.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.918 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.4 t80 -95.82 -52.3 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.64 -25.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -81.15 47.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -166.63 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.65 65.77 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' H ' HD12 ' A' ' 67' ' ' LEU . . . -163.1 128.58 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.396 1.06 . . . . 0.0 109.271 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' OG1' ' A' ' 71' ' ' THR . 8.5 tt -173.73 130.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.6 m -157.09 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 71' ' ' THR . 1.0 OUTLIER -38.86 -31.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -75.37 -64.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -48.57 -53.65 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 77' ' ' MET . 5.2 m120 -38.16 -61.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 73' ' ' GLU . 16.4 m-20 44.86 -94.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.58 ' CG ' ' HA ' ' A' ' 50' ' ' LEU . 2.3 mpp? -64.25 -62.08 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.03 HD22 HD11 ' A' ' 84' ' ' LEU . 4.7 mt -39.67 -56.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.23 -88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -143.87 44.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 110' ' ' ALA . . . -57.93 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.175 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 49.2 t80 37.79 93.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 41.84 76.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.03 HD11 HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -37.94 126.22 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 p -105.87 166.5 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.49 4.35 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 59' ' ' PHE . 3.2 ptt180 -128.15 51.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -156.49 133.73 10.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.869 ' HA ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.33 93.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.02 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.601 1.188 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.493 ' HA2' ' HE3' ' A' ' 77' ' ' MET . . . 30.79 72.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.496 ' SG ' ' HA2' ' A' ' 48' ' ' GLY . 15.1 p -81.45 66.26 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -162.77 32.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.92 148.65 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.23 153.71 21.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -55.27 171.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 98' ' ' LYS . 28.4 m -148.19 174.31 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' H ' HG22 ' A' ' 97' ' ' THR . . . -79.69 -38.56 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.413 ' O ' HD11 ' A' ' 63' ' ' ILE . . . -61.24 -33.33 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.415 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 47.5 mtt -76.45 3.16 11.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 46.3 t0 -61.76 104.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 90.54 33.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.869 ' HG2' HG22 ' A' ' 9' ' ' VAL . 4.4 ptt? -76.54 127.73 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.515 ' CG2' HD11 ' A' ' 12' ' ' ILE . 89.0 m -97.35 93.54 6.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.243 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.706 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 15.7 m -87.41 133.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -127.66 110.97 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 57' ' ' LEU . 4.5 t -55.16 108.73 1.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.661 1.225 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.566 1.824 . . . . 0.0 111.033 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' ALA . 0.3 OUTLIER 173.26 43.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.856 ' HB3' ' OG ' ' A' ' 53' ' ' SER . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.725 ' S1 ' ' C ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.1 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -129.45 162.83 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' A' ' 96' ' ' LEU . 3.4 pt -128.98 169.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' VAL . 58.1 m -113.12 168.04 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.3 t -160.88 153.13 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' VAL . 10.9 m-70 -126.51 114.85 18.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.358 1.036 . . . . 0.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 69.0 m-85 -102.5 127.06 49.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.973 HD12 ' HB2' ' A' ' 106' ' ' ARG . 23.5 mt -95.26 129.05 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -83.46 -169.08 2.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -86.11 45.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -164.28 -39.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.81 17.4 3.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.1 mm-40 -87.25 71.67 10.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.4 m -36.23 118.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 38' ' ' LEU . 2.7 mm? -82.37 -46.4 13.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 45.3 m 65.39 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -171.22 152.81 3.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.82 148.56 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -133.42 170.25 22.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.28 133.97 55.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 0.771 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.5 tt -60.68 110.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 11.57 20.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.44 172.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.3 p -179.91 163.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' LEU . 4.5 mm? 60.56 44.13 12.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 109.218 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 47' ' ' GLU . 2.6 mp 39.32 76.37 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.567 1.167 . . . . 0.0 109.218 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.616 ' O ' ' C ' ' A' ' 32' ' ' VAL . 21.2 t0 -98.62 -60.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 31' ' ' ASP . 69.4 t -21.71 -65.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.85 HG13 ' H ' ' A' ' 34' ' ' VAL . 1.8 p -42.65 -72.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.85 ' H ' HG13 ' A' ' 33' ' ' VAL . 45.3 t -53.17 -43.84 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.625 1.203 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -30.0 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 6.8 t30 -116.8 -16.53 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 27.2 t30 82.0 30.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -46.51 171.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.47 -57.24 4.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 41' ' ' ASP . 40.2 mm 52.43 -108.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.636 ' N ' HG22 ' A' ' 40' ' ' ILE . 8.7 t70 178.11 174.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.43 53.91 1.54 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 41' ' ' ASP . 15.8 m-30 -107.47 -168.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.603 0.825 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.848 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . 68.15 47.49 58.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.848 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.33 . . -92.06 -168.88 2.1 Favored 'General case' 1 CA--C 1.664 5.329 1 N-CA-C 70.023 -15.177 . . . . 0.0 70.023 179.971 . . . . . . . . 5 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 3.24 172.55 0.0 OUTLIER 'General case' 2 C--N 1.036 -13.055 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -141.283 . . . . . . . . 5 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.4 mt-10 -42.71 -26.11 0.11 Allowed 'General case' 1 C--N 1.021 -13.708 3 C-N-CA 171.63 19.972 . . . . 0.0 110.305 133.868 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 92' ' ' CYS . . . 138.46 2.3 2.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.458 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 18.8 m -36.11 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 0.74 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.74 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER 84.56 122.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 50' ' ' LEU . . . 87.93 36.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -68.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.579 1.174 . . . . 0.0 108.382 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -115.67 -169.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.994 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 43' ' ' PHE . 53.0 p -64.49 -115.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' THR . 7.1 m 83.69 42.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.511 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 6.5 t-160 -118.34 119.03 33.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.539 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mp -142.08 157.81 44.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.733 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 0.1 OUTLIER -71.43 150.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 10.5 m-85 -140.3 137.54 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 44.6 mt-10 -42.26 123.99 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.8 tt0 -55.0 -33.16 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 57.6 t-80 -88.83 22.7 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.806 HG23 ' HB1' ' A' ' 99' ' ' ALA . 27.9 mm -127.73 -52.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -90.51 -58.31 2.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -41.35 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.374 1.046 . . . . 0.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.769 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -77.0 42.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -150.66 157.77 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -116.08 75.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.65 130.37 4.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.395 1.059 . . . . 0.0 109.201 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.763 ' CG1' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tt -173.45 -175.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 72' ' ' ASP . 30.8 m -122.07 -172.33 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.84 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -14.39 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -150.45 48.25 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HA ' ' CG1' ' A' ' 70' ' ' ILE . 1.1 pt-20 91.84 30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.635 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 17.8 t-20 -82.56 -94.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.587 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.4 OUTLIER 36.39 32.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.237 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.587 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 6.6 tpt 88.19 42.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' C ' ' A' ' 89' ' ' ARG . 1.1 mm? -127.71 -51.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER 61.7 135.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.611 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.31 57.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 79' ' ' ASP . . . -77.88 126.46 30.87 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 11.7 m-85 -37.47 101.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 164.25 -42.15 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.588 1.18 . . . . 0.0 110.963 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' A' ' 80' ' ' LEU . 2.5 mp -39.48 111.95 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' ARG . 87.0 m -120.71 -113.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.601 ' N ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -38.92 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 88' ' ' SER . 0.2 OUTLIER 172.55 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.733 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER 56.32 145.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.834 ' C ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -163.39 -155.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 92' ' ' CYS . 0.8 OUTLIER -97.36 144.13 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.61 58.43 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.444 1.09 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.944 ' O ' HG23 ' A' ' 94' ' ' ILE . 30.9 m -144.0 161.77 37.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.541 HE22 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 36.73 32.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.218 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.944 HG23 ' O ' ' A' ' 92' ' ' CYS . 1.1 pt -129.43 86.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 19.5 m -50.62 162.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 108.359 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 7' ' ' ILE . 12.1 mt -68.28 167.54 14.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 98' ' ' LYS . 51.1 m -158.14 174.12 15.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.495 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.516 ' H ' HG22 ' A' ' 97' ' ' THR . . . -71.67 -20.78 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.806 ' HB1' HG23 ' A' ' 63' ' ' ILE . . . -69.25 -46.3 67.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 4.1 mtt -78.76 3.9 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 45.3 t0 -59.4 95.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.4 t30 75.54 49.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.695 ' HG2' HG22 ' A' ' 9' ' ' VAL . 9.7 ptt? -98.7 145.35 26.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.556 HG22 HD11 ' A' ' 12' ' ' ILE . 61.3 m -96.33 97.35 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 11' ' ' PHE . 24.2 m -94.48 135.76 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.973 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.8 tmt_? -136.4 144.93 44.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 p -116.8 130.11 24.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -88.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.597 1.841 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -161.45 147.66 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.396 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.613 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -120.66 161.97 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.842 HG12 HD13 ' A' ' 96' ' ' LEU . 2.8 pt -125.84 -161.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.416 1.073 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -145.7 156.69 43.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.634 HG22 ' SD ' ' A' ' 103' ' ' MET . 68.9 t -150.67 130.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 104' ' ' THR . 0.2 OUTLIER -103.83 108.85 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.911 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -86.99 77.15 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.328 1.017 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 17' ' ' GLU . 29.0 mt -44.5 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 t-20 -63.01 -151.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HD3' ' CG1' ' A' ' 107' ' ' VAL . 45.6 mmm-85 -117.58 -33.72 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -73.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.66 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -111.6 -10.61 18.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 40.89 110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 0.0 110.374 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 18' ' ' THR . 1.2 m 152.42 26.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 110.386 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' HB2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -35.8 -60.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 13.0 m 65.26 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 32' ' ' VAL . 8.3 t -141.86 146.97 36.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.61 128.37 37.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -114.61 176.98 17.26 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.579 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -122.89 142.4 50.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.398 0.705 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ILE . 14.1 tt -68.46 105.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 129.29 -5.55 6.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -46.4 172.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.66 172.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER 41.09 54.01 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.5 mm? 58.62 114.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.4 t0 -147.98 -153.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.831 HG22 ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER 38.09 -89.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.911 HG21 ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -49.8 -46.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 30' ' ' LEU . 98.9 t -73.67 -59.13 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 32' ' ' VAL . 1.1 pt20 -46.13 -35.98 5.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.65 ' OD1' HD22 ' A' ' 38' ' ' LEU . 4.3 t-20 -78.71 -32.65 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.623 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.6 t30 94.12 10.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD22 ' OD1' ' A' ' 36' ' ' ASN . 0.3 OUTLIER -41.05 161.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.47 71.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.689 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.5 pp -67.25 90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -88.41 89.84 8.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.13 -37.98 3.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.972 ' CD1' HD11 ' A' ' 57' ' ' LEU . 20.1 m-85 -47.88 109.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.628 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 62.95 153.25 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.316 . . 177.56 -169.6 0.08 Allowed 'General case' 1 CA--C 1.667 5.461 1 N-CA-C 68.975 -15.565 . . . . 0.0 68.975 -179.987 . . . . . . . . 4 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.628 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.419 8.1 p 6.22 172.53 0.0 OUTLIER 'General case' 2 C--N 1.028 -13.413 2 N-CA-C 66.39 -16.522 . . . . 0.0 66.39 -140.98 . . . . . . . . 5 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.74 66.78 0.09 Allowed 'General case' 1 C--N 1.021 -13.714 3 C-N-CA 171.564 19.946 . . . . 0.0 110.328 133.808 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . 124.02 162.02 11.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 1.255 ' HA ' ' S1 ' ' A' ' 146' ' ' FES . 4.6 t -83.95 121.12 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 171.14 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.383 1.052 . . . . 0.0 109.246 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -86.25 -97.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.556 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.8 p -29.79 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 108.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . 34.3 p 42.04 66.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -166.19 -93.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' THR . 4.4 p 38.12 31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 7.3 p80 -75.65 -172.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.688 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER 163.96 166.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.218 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -92.06 107.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.231 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.737 ' HE1' HD13 ' A' ' 63' ' ' ILE . 1.1 t80 -110.09 143.7 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.985 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -42.08 118.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -51.84 -19.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 t60 -79.87 4.49 16.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 60' ' ' GLU . 4.4 mt -126.97 -50.42 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.65 ' CG ' ' HB3' ' A' ' 59' ' ' PHE . 2.3 m-30 -80.15 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.86 -24.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -60.95 -22.18 64.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm? -49.74 159.37 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -85.04 65.78 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . 70.03 173.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.496 HD11 ' CD2' ' A' ' 78' ' ' LEU . 14.7 tt -143.09 113.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 m -119.36 175.18 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -50.81 -23.48 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -39.65 16.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . 1.3 tm-20 -73.76 -38.47 64.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.63 1.206 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.814 ' HA ' HD22 ' A' ' 78' ' ' LEU . 29.0 p30 -89.57 25.34 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.629 ' O ' ' CB ' ' A' ' 77' ' ' MET . 11.8 t70 -69.91 112.88 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.629 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.1 tpt 91.09 7.97 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.411 1.069 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.814 HD22 ' HA ' ' A' ' 75' ' ' ASN . 10.1 mp -81.61 -101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.669 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER 72.46 2.91 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -14.06 -56.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . 87.8 144.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 81' ' ' ALA . 37.7 t80 47.83 176.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' N ' ' CD2' ' A' ' 82' ' ' TYR . . . 37.92 32.6 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -70.69 60.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.244 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 86' ' ' ASP . 1.9 m -92.88 -171.57 2.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 85' ' ' THR . 1.6 m-20 -90.62 14.44 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -135.47 46.9 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 7.0 t -163.12 143.44 9.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.618 ' HG3' ' CE2' ' A' ' 64' ' ' PHE . 0.3 OUTLIER 174.81 140.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.8 tt -37.31 141.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.16 121.11 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -45.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.867 ' CD ' HG22 ' A' ' 49' ' ' THR . 67.8 mt-30 -83.43 -18.47 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.665 ' O ' HG23 ' A' ' 94' ' ' ILE . 1.1 tp -63.33 95.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.3 p -44.8 165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 108.255 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 7' ' ' ILE . 8.0 mt -67.76 169.05 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 98' ' ' LYS . 5.3 m -157.86 177.41 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.527 ' H ' HG22 ' A' ' 97' ' ' THR . . . -74.9 -54.59 6.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 63' ' ' ILE . . . -55.31 -22.98 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.501 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 33.3 mtt -85.67 -1.84 57.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.9 t0 -69.49 112.32 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 3.6 m120 83.5 19.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.667 ' HG3' HG13 ' A' ' 105' ' ' VAL . 2.6 ptt? -63.26 106.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 10' ' ' HIS . 37.9 m -78.15 83.24 4.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 103' ' ' MET . 8.1 m -74.81 130.45 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.727 ' C ' HD23 ' A' ' 57' ' ' LEU . 16.7 ttt180 -129.72 131.88 46.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 8.7 p -71.75 139.54 83.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.4 Cg_endo -74.97 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.634 1.86 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 t70 179.16 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 146' ' ' FES . . . . . 1.255 ' S1 ' ' HA ' ' A' ' 49' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 5' ' ' ASP . . . 48.89 176.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 96' ' ' LEU . 41.7 pt -142.4 -170.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' ASN . 2.7 m -141.71 149.77 40.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' A' ' 103' ' ' MET . 61.7 t -142.88 144.96 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 103' ' ' MET . 26.1 m170 -114.61 119.03 35.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CB ' HD11 ' A' ' 38' ' ' LEU . 22.7 m-85 -101.72 104.8 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.898 HD12 ' HB2' ' A' ' 106' ' ' ARG . 33.1 mt -72.42 121.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -81.91 -170.56 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -86.59 42.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.206 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.43 -39.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.28 16.47 3.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.8 mt-10 -87.59 67.98 9.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 0.759 . . . . 0.0 110.21 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.525 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 0.9 OUTLIER -36.85 106.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CB ' HD21 ' A' ' 38' ' ' LEU . 2.5 mm? -61.43 -49.16 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.448 1.093 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.525 ' OG1' ' CG2' ' A' ' 18' ' ' THR . 15.5 m 65.58 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.781 ' CG2' HG12 ' A' ' 32' ' ' VAL . 6.5 t -146.83 149.48 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.366 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -81.14 152.62 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -136.59 157.18 23.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -117.22 147.83 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 25' ' ' ILE . 18.9 tt -67.96 114.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.37 -23.51 10.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' CG ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -62.04 154.03 27.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.389 0.699 . . . . 0.0 109.404 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.4 p -155.01 -151.95 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.791 HD12 ' N ' ' A' ' 30' ' ' LEU . 3.4 pp 35.43 -151.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -87.14 46.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CG ' ' N ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -76.73 -54.56 6.47 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.781 HG12 ' CG2' ' A' ' 21' ' ' THR . 14.4 t -63.89 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' ASN . 76.5 t -56.59 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 35' ' ' GLN . 65.9 t -58.59 -43.43 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.5 mm-40 -28.24 -45.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 2.5 t-20 -120.22 -12.06 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.6 t-20 86.11 32.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.351 1.032 . . . . 0.0 109.375 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -36.9 127.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' ILE . 38.1 t0 -82.91 53.7 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.19 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 43' ' ' PHE . 2.7 pt -52.57 -104.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 14' ' ' ARG . 11.7 t70 176.28 116.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.29 -40.79 3.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' HA ' HD11 ' A' ' 40' ' ' ILE . 35.6 m-85 61.07 128.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.812 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.805 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -33.09 134.07 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.805 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.321 . . -98.56 -169.23 1.76 Allowed 'General case' 1 CA--C 1.666 5.434 1 N-CA-C 69.511 -15.366 . . . . 0.0 69.511 -179.996 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.419 8.0 p 4.8 172.62 0.0 OUTLIER 'General case' 2 C--N 1.032 -13.232 2 N-CA-C 66.404 -16.517 . . . . 0.0 66.404 -141.224 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HA ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -56.96 10.01 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.692 3 C-N-CA 171.662 19.985 . . . . 0.0 110.294 134.198 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' CA ' ' HB2' ' A' ' 92' ' ' CYS . . . 97.61 108.28 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 50' ' ' LEU . 32.2 m -157.61 -42.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 0.73 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.879 ' O ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -131.94 -108.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' HB3' ' A' ' 77' ' ' MET . . . -145.84 25.07 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.569 1.168 . . . . 0.0 109.22 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 51' ' ' ALA . 11.6 m -16.99 -64.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.432 1.082 . . . . 0.0 108.248 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 157.24 -51.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.06 57.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.456 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -150.97 -53.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 108.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.888 ' CD2' ' HB1' ' A' ' 81' ' ' ALA . 11.9 p-80 -42.67 156.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -165.1 172.83 12.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 1.2 mp -95.52 107.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HD1' HG12 ' A' ' 105' ' ' VAL . 2.9 m-85 -116.29 135.52 53.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.642 1.214 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -31.62 142.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -82.43 11.08 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -123.62 6.8 8.85 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.497 1.123 . . . . 0.0 109.526 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 99' ' ' ALA . 10.2 mm -124.78 -44.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.363 1.039 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 59' ' ' PHE . 1.1 m-85 -98.81 -54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 61' ' ' GLN . 5.0 tp10 -41.24 -26.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -85.09 46.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.6 mt -156.16 65.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.95 89.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 89' ' ' ARG . . . -155.57 96.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.37 116.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.652 1.22 . . . . 0.0 109.301 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 m -119.35 170.07 9.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 t70 -44.59 -42.0 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -64.8 -37.14 86.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -76.72 -43.87 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' ASP . 18.1 p30 -91.85 17.33 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ASP . 3.7 t0 -71.56 -46.59 59.0 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.886 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 10.0 tpt -87.22 -10.96 51.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.805 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 1.5 tp -110.23 -70.82 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER 83.33 -70.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -125.16 -26.68 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.597 1.185 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.888 ' HB1' ' CD2' ' A' ' 56' ' ' HIS . . . 62.73 58.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 109' ' ' ASP . 0.7 OUTLIER 31.29 82.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.912 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.54 72.43 1.16 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 80' ' ' LEU . 16.7 tp -78.13 84.34 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 0.717 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.75 HG22 ' H ' ' A' ' 86' ' ' ASP . 7.7 m -83.74 -171.51 3.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.6 1.187 . . . . 0.0 110.413 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.75 ' H ' HG22 ' A' ' 85' ' ' THR . 62.9 m-20 -91.64 -6.51 52.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 59' ' ' PHE . 1.7 ptt180 -127.54 62.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -152.61 172.41 16.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 178.48 -147.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 50' ' ' LEU . 33.8 tp -117.59 157.4 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.13 64.95 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.494 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.2 p -176.47 34.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 92' ' ' CYS . 33.8 mm-40 -149.53 -51.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -93.61 115.55 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.377 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.26 171.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 108.259 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 7' ' ' ILE . 9.4 mt -62.9 171.78 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.609 ' O ' HD13 ' A' ' 7' ' ' ILE . 4.2 m -155.86 169.87 23.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -72.95 -38.05 66.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.236 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.951 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -60.23 -28.31 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mtt -76.09 -8.74 57.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 5.5 p-10 -57.94 118.31 5.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 m-20 84.23 18.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.984 ' HB3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -48.23 162.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.671 1.232 . . . . 0.0 111.104 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.662 HG22 HD11 ' A' ' 12' ' ' ILE . 55.2 m -138.41 58.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.691 HG12 ' HD1' ' A' ' 59' ' ' PHE . 4.2 m -59.46 128.98 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.898 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.6 ttp85 -125.64 127.83 46.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 110.246 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 79.8 t -67.62 131.06 92.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 107' ' ' VAL . 18.3 Cg_endo -74.97 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.388 1.73 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.543 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 167.89 162.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.8 ' S1 ' ' C ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -43.93 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 96' ' ' LEU . 1.2 pp -131.95 174.11 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -117.22 156.47 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 41.4 t -147.77 133.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 105' ' ' VAL . 17.7 m170 -100.88 107.85 19.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.54 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.981 ' CZ ' HD12 ' A' ' 40' ' ' ILE . 37.7 t80 -94.33 85.42 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.565 HG23 ' HA2' ' A' ' 16' ' ' GLY . 22.2 mt -56.18 113.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' OD1' HD21 ' A' ' 19' ' ' LEU . 2.8 t30 -65.53 -167.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.208 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 40.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -160.55 -41.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.573 1.17 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.565 ' HA2' HG23 ' A' ' 12' ' ' ILE . . . 133.21 -5.1 4.96 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.4 mt-10 -62.29 76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 0.826 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' GLY . 1.2 m -37.36 98.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 17' ' ' GLU . 1.8 mm? -59.22 -50.23 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.346 1.029 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 2.4 m 65.05 139.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.465 1.103 . . . . 0.0 110.484 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 t -165.87 158.23 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -116.88 126.42 52.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.811 ' CA ' HG23 ' A' ' 32' ' ' VAL . . . -120.56 174.6 15.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.599 1.187 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -105.55 151.48 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.3 tt -62.07 111.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.236 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.13 19.58 10.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.075 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.01 117.95 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.69 -169.16 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 28' ' ' SER . 5.8 mp 59.95 41.89 16.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.163 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.667 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.2 mm? 66.08 65.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.0 t0 -115.13 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.811 HG23 ' CA ' ' A' ' 23' ' ' GLY . 9.8 p -43.18 -52.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.943 HG21 HD13 ' A' ' 40' ' ' ILE . 15.9 t -52.48 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 35' ' ' GLN . 82.3 t -46.96 -49.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -33.2 -42.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 49.2 t30 -104.64 -27.16 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 15.3 t30 94.43 23.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -39.37 157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 40' ' ' ILE . 26.2 t0 -54.08 -49.29 69.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.981 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 2.5 tp 35.61 60.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.82 93.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.639 1.212 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 110.31 24.27 5.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 40' ' ' ILE . 5.0 p90 -35.33 148.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.734 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -39.0 132.8 1.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.305 . . -94.38 -170.31 2.24 Favored 'General case' 1 CA--C 1.669 5.539 1 N-CA-C 68.225 -15.843 . . . . 0.0 68.225 -179.982 . . . . . . . . 5 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.643 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 9.19 172.61 0.0 OUTLIER 'General case' 2 C--N 1.02 -13.734 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -140.916 . . . . . . . . 5 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' C ' HD23 ' A' ' 30' ' ' LEU . 39.1 mt-10 -64.56 23.56 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.694 3 C-N-CA 171.697 19.999 . . . . 0.0 110.29 134.33 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' O ' HD23 ' A' ' 29' ' ' LEU . . . 86.78 100.37 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 49' ' ' THR . 1.2 m -170.65 14.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 13.3 mt 53.37 110.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 162.72 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.245 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.742 ' O ' ' HE2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -107.27 -172.64 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.233 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.1 t -150.56 20.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.0 p -90.16 -17.45 27.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 0.0 110.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.15 -2.26 47.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -43.02 121.39 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.637 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 11' ' ' PHE . 12.7 mt -145.43 165.6 28.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 106' ' ' ARG . 1.3 mp -109.0 120.87 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.54 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -113.97 120.44 40.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.647 ' CB ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -34.2 124.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.224 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' GLU . 22.6 pt20 -49.63 -33.62 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -60.85 -12.66 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.678 1.236 . . . . 0.0 109.613 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.647 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.1 mt -107.57 -38.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 63.1 t80 -87.41 -58.32 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.16 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.0 pt-20 -35.84 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.394 1.059 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -84.88 43.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.796 HD11 ' HD2' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -177.0 78.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.16 68.68 9.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.48 79.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' C ' ' OG1' ' A' ' 71' ' ' THR . 6.3 tt -158.18 146.14 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.649 1.218 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.467 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 1.2 m -156.23 177.63 11.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -22.5 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.08 -48.61 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 71' ' ' THR . 1.9 tp10 -46.98 -38.45 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 76' ' ' ASP . 2.3 p30 -37.85 -43.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.294 0.996 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 77' ' ' MET . 97.4 m-20 45.38 98.74 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.742 ' HE2' ' O ' ' A' ' 52' ' ' CYS . 1.4 tmm? 82.71 -50.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.446 1.091 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -38.31 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 -61.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -137.27 -31.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 84' ' ' LEU . . . 39.75 68.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.4 t80 35.25 68.65 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.37 61.63 7.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.143 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 HD13 HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -53.69 135.09 41.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -164.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.09 -4.18 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' PHE . 2.2 ptt180 -126.5 59.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 t -155.49 151.42 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.052 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.796 ' HD2' HD11 ' A' ' 67' ' ' LEU . 12.7 ttt85 -137.88 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 91' ' ' GLY . 1.3 tm? 66.16 -68.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 90' ' ' LEU . . . 139.38 164.7 9.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' ILE . 12.1 p 44.12 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 19.0 mt-30 66.36 -63.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -43.92 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.4 m -65.53 162.63 17.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 97' ' ' THR . 1.9 mt -68.16 149.64 49.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 96' ' ' LEU . 17.0 p -158.54 173.76 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -67.32 -39.4 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.21 76.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.4 mtt -88.56 3.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 23.4 t70 -62.45 102.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.8 m-20 85.33 25.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 17.0 ptm -69.31 136.1 51.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.537 ' CG2' HD11 ' A' ' 12' ' ' ILE . 26.8 m -95.04 89.69 5.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.118 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.685 HG13 ' HG3' ' A' ' 103' ' ' MET . 10.1 m -82.79 120.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.888 ' O ' HD12 ' A' ' 58' ' ' ILE . 14.2 ttt180 -128.97 137.06 51.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 28.8 m -65.22 144.07 98.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 Cg_endo -74.89 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -162.89 134.93 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.347 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.889 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.886 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.64 137.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 153.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.9 t70 -38.34 -59.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.51 -171.36 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.05 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -44.01 -23.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.39 -72.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.886 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.9 109.26 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -122.69 163.07 20.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.91 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 pp -135.94 166.39 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -118.19 157.51 26.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG13 HG13 ' A' ' 105' ' ' VAL . 53.6 t -150.98 148.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -115.9 110.99 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.619 1.199 . . . . 0.0 109.567 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CG ' ' CG2' ' A' ' 105' ' ' VAL . 28.4 m-85 -94.41 127.3 40.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 106' ' ' ARG . 9.5 mt -98.56 135.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.4 1.062 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -91.74 -165.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.59 39.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -157.97 -39.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.07 14.54 4.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.399 1.062 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.7 mt-10 -82.69 70.65 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 0.816 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.6 m -36.48 120.38 0.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.7 mm? -83.12 -46.16 13.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 33.5 m 66.91 136.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.393 1.058 . . . . 0.0 110.52 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 11' ' ' PHE . 4.0 t -157.81 152.04 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -93.88 142.9 26.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -128.1 173.47 18.94 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.55 1.156 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -120.85 129.35 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.399 0.705 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' O ' ' A' ' 5' ' ' ASP . 1.8 tt -56.86 110.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.19 19.92 11.04 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.412 1.07 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.2 OUTLIER -54.84 172.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.9 172.06 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.898 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 mp 51.97 61.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.187 . . . . 0.0 109.382 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.739 HD22 ' CB ' ' A' ' 92' ' ' CYS . 4.0 mm? 63.93 -82.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 52.36 -163.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' VAL . 92.9 t 48.88 -90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -39.72 -45.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG22 ' HE2' ' A' ' 43' ' ' PHE . 50.4 t -79.17 -51.67 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.591 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 42.1 t-20 -110.48 -31.26 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 34.7 t30 88.85 32.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.386 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -32.56 133.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.198 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.94 67.32 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.678 HG13 HD12 ' A' ' 38' ' ' LEU . 14.5 mt -143.42 92.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -58.14 156.51 9.51 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.589 1.181 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.48 -28.19 7.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' HE2' HG22 ' A' ' 34' ' ' VAL . 21.9 p90 -37.32 101.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.677 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 49.95 176.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 52' ' ' CYS 0.281 . . 154.76 -172.6 0.0 OUTLIER 'General case' 1 CA--C 1.676 5.791 1 N-CA-C 66.112 -16.625 . . . . 0.0 66.112 179.92 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' N ' ' A' ' 50' ' ' LEU 0.42 8.1 p 18.72 172.58 0.0 OUTLIER 'General case' 2 C--N 1.001 -14.56 3 N-CA-C 66.398 -16.519 . . . . 0.0 66.398 -141.678 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 48' ' ' GLY . 72.7 mt-10 -63.93 66.21 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.686 3 C-N-CA 171.745 20.018 . . . . 0.0 110.274 133.553 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 31.36 48.22 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.605 1.19 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.57 8.55 8.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.475 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 14.1 mt 56.16 110.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 166.13 -30.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 27.6 p -78.8 -44.84 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 54' ' ' THR . 22.5 p 59.59 75.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 53' ' ' SER . 3.9 p -160.55 -36.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 54' ' ' THR . 25.4 p -56.0 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 108.262 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER 73.89 153.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.601 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -167.11 163.89 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -78.68 116.24 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 105' ' ' VAL . 8.3 m-85 -117.27 141.87 47.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PHE . 5.3 mm-40 -30.15 112.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.5 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 5.6 pt20 -48.18 -43.78 32.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.526 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 51.5 t60 -61.13 -9.76 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 99' ' ' ALA . 42.6 mm -103.99 -43.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.552 1.157 . . . . 0.0 109.352 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD23 ' A' ' 67' ' ' LEU . 18.3 t80 -81.3 -65.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.38 1.05 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm-40 -27.46 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -79.23 55.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.811 HD23 ' HA ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -173.1 150.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.629 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.3 mt-10 -44.01 116.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 70' ' ' ILE . . . -88.95 -174.24 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER 47.49 -173.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 70' ' ' ILE . 44.4 m -125.37 175.26 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.554 ' H ' HG22 ' A' ' 71' ' ' THR . 2.1 t70 -42.69 -64.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -78.83 36.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.699 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 19.1 mm-40 60.51 42.59 14.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.699 ' CB ' ' O ' ' A' ' 74' ' ' GLU . 12.2 p-10 103.91 33.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 73' ' ' GLU . 7.3 t0 -38.24 -67.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 111.027 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-20 67.66 3.47 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -174.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.617 ' OG ' ' CD2' ' A' ' 56' ' ' HIS . 32.8 t -70.97 164.39 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.641 ' CZ ' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -166.7 164.91 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' HB2' ' A' ' 93' ' ' GLN . 11.9 tp -58.95 152.57 19.33 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.54 68.86 0.5 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.497 1.123 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.739 ' CB ' HD22 ' A' ' 30' ' ' LEU . 1.2 p -174.96 -44.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.643 ' HB2' HD23 ' A' ' 90' ' ' LEU . 75.1 mt-30 -90.37 -47.09 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.217 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.641 HG21 ' CZ ' ' A' ' 89' ' ' ARG . 1.5 pp -72.75 104.04 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 22.4 m -55.53 160.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.178 . . . . 0.0 108.254 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 7' ' ' ILE . 11.4 mt -57.5 172.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 m -155.4 167.48 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -61.95 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.8 mtt -94.95 -4.31 46.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 28.2 t70 -51.57 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 32.7 t30 82.85 41.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.493 ' HG2' HG22 ' A' ' 9' ' ' VAL . 1.4 ptt? -91.8 149.12 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 12' ' ' ILE . 29.5 m -96.32 105.45 17.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 110.319 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 59' ' ' PHE . 16.7 m -92.29 120.04 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.9 tmt_? -124.9 136.19 53.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.62 132.98 23.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -7.73 19.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.577 1.83 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.22 119.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 25' ' ' ILE . 34.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -127.78 163.24 24.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.946 HD11 ' CD2' ' A' ' 96' ' ' LEU . 9.2 pt -140.29 137.28 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -83.85 152.3 24.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.974 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.5 t -147.0 156.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 1.083 ' CD2' HG23 ' A' ' 18' ' ' THR . 16.0 t-160 -123.37 123.53 40.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 49.1 m-85 -112.25 90.88 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.762 HD12 ' HB2' ' A' ' 106' ' ' ARG . 48.2 mt -61.88 118.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.603 1.189 . . . . 0.0 109.4 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -69.65 167.26 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -52.38 -32.65 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.662 1.226 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -34.03 16.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.87 7.17 8.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.635 ' O ' HD22 ' A' ' 19' ' ' LEU . 63.4 mt-10 -68.44 75.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.083 HG23 ' CD2' ' A' ' 10' ' ' HIS . 26.9 m -28.79 126.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 ' O ' ' A' ' 17' ' ' GLU . 2.8 mm? -93.55 -53.53 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m 63.38 131.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.528 ' HB ' HD13 ' A' ' 38' ' ' LEU . 2.8 t -156.01 154.6 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -101.21 122.57 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -102.01 173.87 23.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.19 140.73 49.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 0.783 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 5' ' ' ASP . 19.8 tt -66.82 111.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 112.62 4.51 24.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -44.45 166.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 83.7 p -118.64 -168.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 29' ' ' LEU . 2.7 pp -38.37 129.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 45.28 -100.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.201 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 65.9 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.48 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.1 t -33.6 -38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' ASN . 80.8 t -62.25 -60.17 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ASN . 22.6 t -75.03 -54.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.067 . . . . 0.0 109.182 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.71 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.348 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 17.1 t-20 -110.61 -27.54 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 82.47 17.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 11' ' ' PHE . 4.7 tp -41.2 159.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.71 62.1 0.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 1.4 pt -89.26 85.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -46.25 116.16 1.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.551 1.157 . . . . 0.0 109.229 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' ' HB ' ' A' ' 54' ' ' THR . . . 104.09 24.0 7.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 25.2 p90 -38.78 155.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 54' ' ' THR . . . -49.58 102.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.346 . . -62.63 -167.86 0.02 OUTLIER 'General case' 1 CA--C 1.66 5.191 1 N-CA-C 71.404 -14.665 . . . . 0.0 71.404 179.913 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 50' ' ' LEU 0.417 8.3 p -0.77 172.61 0.0 OUTLIER 'General case' 2 C--N 1.049 -12.49 2 N-CA-C 66.431 -16.507 . . . . 0.0 66.431 -141.75 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.9 mt-10 -49.6 -6.51 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.678 3 C-N-CA 171.661 19.984 . . . . 0.0 110.33 134.074 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 115.47 179.0 18.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.571 1.169 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 48' ' ' GLY . 56.7 m 73.0 35.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 0.718 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -147.5 -137.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.625 ' H ' HD23 ' A' ' 50' ' ' LEU . . . -160.63 30.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.648 ' N ' HD23 ' A' ' 50' ' ' LEU . 4.3 p -58.79 -116.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 0.0 108.238 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 35.1 m -174.36 30.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 42' ' ' GLY . 1.2 p -110.81 -11.89 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 19.9 p -109.71 -11.08 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 55' ' ' CYS . 15.4 t-160 -36.39 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.08 . . . . 0.0 109.535 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.2 mp 50.79 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -103.16 111.76 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.428 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -112.05 128.35 56.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.11 146.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.41 1.068 . . . . 0.0 110.326 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.45 -12.51 53.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.486 ' O ' HD13 ' A' ' 63' ' ' ILE . 45.5 t-80 -78.35 -5.12 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 62' ' ' HIS . 40.0 mm -123.59 -48.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -54.4 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -48.39 -21.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -85.73 45.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -151.28 83.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -83.63 69.22 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.07 137.83 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -140.12 -164.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 72' ' ' ASP . 33.0 m -112.27 177.82 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 71' ' ' THR . 3.8 t70 -47.52 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -82.48 30.24 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 70' ' ' ILE . 10.7 mt-10 51.63 34.62 13.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.602 1.189 . . . . 0.0 110.366 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -86.31 -81.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.6 1.188 . . . . 0.0 109.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.552 ' CA ' ' OG1' ' A' ' 71' ' ' THR . 16.3 t70 46.61 64.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.595 ' HG3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -15.01 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -137.75 69.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.0 t -173.21 140.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.922 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.348 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 77' ' ' MET . 0.4 OUTLIER -169.68 143.85 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.33 28.39 0.56 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 6.2 p -100.36 -46.49 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.58 ' CD ' HD22 ' A' ' 90' ' ' LEU . 7.3 pt20 -76.96 54.2 1.0 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.427 1.079 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -164.48 164.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 p -102.12 168.47 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 108.21 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.946 ' CD2' HD11 ' A' ' 7' ' ' ILE . 7.1 mt -66.06 162.91 18.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.369 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.53 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.3 m -156.08 170.12 22.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.397 1.061 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.97 -42.81 37.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.08 -20.66 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.609 ' O ' ' C ' ' A' ' 101' ' ' ASP . 4.1 mtp -90.84 -50.33 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.609 ' C ' ' O ' ' A' ' 100' ' ' MET . 57.0 t0 -22.1 115.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.448 1.092 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.3 t-20 88.14 29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.974 ' HG2' HG22 ' A' ' 9' ' ' VAL . 10.8 ptm -89.69 123.95 34.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.763 HG23 ' ND1' ' A' ' 10' ' ' HIS . 87.5 m -93.17 98.05 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 3.7 m -94.47 128.53 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.1 ttt85 -125.9 135.39 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -80.48 144.03 56.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.1 Cg_endo -75.06 177.05 9.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.5 t0 177.69 91.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.888 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.885 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.62 137.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 154.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.8 t70 -38.39 -59.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.5 -171.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.07 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -43.96 -23.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.41 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.885 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.91 109.28 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -99.69 167.05 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.718 ' CG1' HD13 ' A' ' 96' ' ' LEU . 1.7 pp -134.78 166.61 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 94.2 m -114.96 165.73 12.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 7.7 t -152.0 155.44 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.425 ' CD2' ' OG1' ' A' ' 20' ' ' THR . 18.1 m80 -131.43 114.16 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.562 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 62.5 t80 -102.68 115.8 31.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 106' ' ' ARG . 16.4 mt -82.23 109.48 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.527 ' ND2' HD21 ' A' ' 19' ' ' LEU . 2.0 t-20 -59.54 159.36 8.43 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.359 1.037 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -52.88 -24.97 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.84 -24.79 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.43 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.22 16.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.636 1.21 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' THR . 18.9 mt-10 -79.0 70.56 5.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.456 0.739 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.9 m -34.39 126.95 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 11' ' ' PHE . 2.8 mm? -95.07 -51.93 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.425 ' OG1' ' CD2' ' A' ' 10' ' ' HIS . 2.1 m 63.7 137.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 32' ' ' VAL . 14.7 t -161.03 150.52 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -86.0 150.43 24.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -138.43 158.39 24.91 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.612 1.195 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 96' ' ' LEU . . . -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.41 117.36 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.37 14.05 15.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -107.65 145.15 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.4 p -100.18 156.62 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 91' ' ' GLY . 1.1 tt -42.13 -49.86 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.68 HD21 ' HA3' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -55.73 -42.69 75.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 35' ' ' GLN . 65.3 m-20 -65.05 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 21' ' ' THR . 88.0 t -37.34 -48.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 38' ' ' LEU . 41.6 t -61.54 -72.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 30' ' ' LEU . 87.3 t -46.23 -30.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.064 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.3 mt-30 -55.41 -29.41 58.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -128.03 4.98 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' VAL . 8.8 m-20 63.27 28.07 15.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.881 ' HB3' HG13 ' A' ' 33' ' ' VAL . 8.7 tt -41.15 157.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.193 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.69 ' N ' HD23 ' A' ' 38' ' ' LEU . 41.6 t0 -92.1 59.32 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.744 ' CG2' HG11 ' A' ' 33' ' ' VAL . 18.6 tt -73.63 82.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -48.7 105.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.96 -60.34 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.581 1.175 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 54.0 t80 55.48 163.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.68 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . -72.09 130.19 16.19 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.666 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.301 . . -101.32 -170.55 1.85 Allowed 'General case' 1 CA--C 1.669 5.551 1 N-CA-C 67.948 -15.945 . . . . 0.0 67.948 -179.977 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 49' ' ' THR . 8.0 p 9.71 5.72 0.0 OUTLIER 'General case' 1 C--N 1.019 -13.799 1 C-N-CA 153.747 12.819 . . . . 0.0 113.383 -140.923 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER 55.9 65.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.064 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 34.66 80.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' THR . 0.6 OUTLIER -156.09 18.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 0.781 . . . . 0.0 110.414 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 90' ' ' LEU . 37.6 mt 46.33 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.38 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 21.4 p -71.35 -41.7 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 p 60.38 42.87 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.915 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -117.94 -28.94 5.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -62.69 134.85 56.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.219 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.4 OUTLIER -176.62 117.05 0.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 106' ' ' ARG . 1.6 mm? -128.95 164.21 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.683 HG21 HH21 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -99.45 106.37 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' ARG . 7.8 m-85 -104.13 134.15 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' CB ' HD12 ' A' ' 63' ' ' ILE . 1.4 mt-10 -38.7 119.88 0.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.523 1.139 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 21.6 pt20 -50.31 -26.39 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 56.9 t-80 -63.92 -9.99 18.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.544 1.153 . . . . 0.0 109.649 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.603 HG21 ' HG3' ' A' ' 100' ' ' MET . 6.1 mt -112.81 -49.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 9.8 t80 -71.89 -57.12 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.03 -26.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -59.28 -16.59 22.49 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 109.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LYS . 1.8 mm? -116.73 66.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.407 1.067 . . . . 0.0 109.384 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 72.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -155.59 104.27 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' C ' ' OG1' ' A' ' 71' ' ' THR . 5.1 tt -174.96 130.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' GLU . 7.2 m -156.15 172.56 18.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -37.11 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' THR . 1.3 tt0 -78.57 -68.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -40.53 -51.45 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' MET . 1.6 m-20 -42.82 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 73' ' ' GLU . 1.2 m-20 43.58 -90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 75' ' ' ASN . 18.0 tpp . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 86' ' ' ASP . 58.0 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 85' ' ' THR . 23.9 t0 -120.1 -2.32 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.381 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -135.14 50.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.237 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.7 t -150.28 121.03 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.553 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -132.21 145.92 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 92' ' ' CYS . 0.7 OUTLIER -44.45 119.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.215 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.716 ' O ' HD22 ' A' ' 29' ' ' LEU . . . -108.37 93.79 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 90' ' ' LEU . 24.9 p 177.1 -37.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -56.76 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 94' ' ' ILE . 10.8 tp -42.36 122.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.27 166.84 17.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 108.408 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 ' CG1' ' A' ' 7' ' ' ILE . 10.3 mt -65.01 158.38 25.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.411 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 9.5 m -158.0 170.82 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.59 51.38 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 109.301 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.89 -42.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.603 ' HG3' HG21 ' A' ' 63' ' ' ILE . 8.5 mtt -83.68 22.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -72.48 109.86 6.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.1 m-20 84.04 17.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 11.5 ptt? -60.72 133.3 55.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 49.6 m -94.99 94.05 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.706 HG13 ' HG3' ' A' ' 103' ' ' MET . 34.9 m -90.64 125.24 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.524 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 ttm180 -120.61 135.69 55.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 5.7 p -97.28 138.49 21.19 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.5 Cg_endo -75.01 -175.42 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.378 1.725 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.42 84.97 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.174 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -113.96 167.94 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 109.371 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.862 HD12 ' N ' ' A' ' 8' ' ' THR . 1.6 pp -135.52 -170.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.862 ' N ' HD12 ' A' ' 7' ' ' ILE . 93.9 m -143.54 156.11 44.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.869 HG22 ' HG2' ' A' ' 103' ' ' MET . 53.4 t -140.69 166.96 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.521 ' N ' HG12 ' A' ' 9' ' ' VAL . 23.5 m-70 -140.98 102.21 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 109.556 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.107 ' CD2' HD21 ' A' ' 38' ' ' LEU . 16.9 t80 -91.68 116.41 28.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.515 HD11 ' CG2' ' A' ' 104' ' ' THR . 21.3 mt -87.72 99.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.378 1.049 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' HB2' HD21 ' A' ' 19' ' ' LEU . 49.3 t30 -58.27 163.44 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -51.52 -31.89 25.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.3 -27.6 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.29 9.67 33.31 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.4 mm-40 -75.52 70.0 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 17' ' ' GLU . 2.1 m -30.8 123.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.921 HD23 ' CD2' ' A' ' 11' ' ' PHE . 3.6 mm? -89.69 -48.86 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.9 m 65.36 141.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 9' ' ' VAL . 13.0 t -157.11 161.19 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -123.48 121.8 36.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.034 ' HA3' HG23 ' A' ' 32' ' ' VAL . . . -114.63 -165.87 15.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -128.35 143.96 51.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.19 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.1 tt -57.65 99.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.16 -6.21 6.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -67.72 121.3 15.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -134.76 -172.35 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 0.0 109.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.02 34.1 24.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' CA ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER 60.95 63.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 32' ' ' VAL . 29.7 t0 -101.66 -56.58 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.034 HG23 ' HA3' ' A' ' 23' ' ' GLY . 1.5 p -31.44 -50.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.883 HG13 ' HB3' ' A' ' 38' ' ' LEU . 2.6 t -67.48 -70.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -38.95 -52.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.7 mt-30 -37.84 -41.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -99.48 -23.47 15.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.2 t30 83.24 36.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.107 HD21 ' CD2' ' A' ' 11' ' ' PHE . 4.7 tt -46.51 170.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 38' ' ' LEU . 1.5 t70 -122.33 61.34 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 43' ' ' PHE . 10.6 tt -93.28 63.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ILE . 34.7 t70 38.08 66.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.357 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 64.09 62.82 4.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.8 ' HA ' HG23 ' A' ' 40' ' ' ILE . 17.2 p90 -28.37 134.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.783 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.732 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 53.05 66.34 2.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB3' ' SG ' ' A' ' 52' ' ' CYS 0.39 . . -58.46 -165.81 0.0 OUTLIER 'General case' 1 CA--C 1.648 4.726 1 N-CA-C 74.847 -13.39 . . . . 0.0 74.847 179.871 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.732 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.418 8.1 p -9.49 172.59 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.233 2 N-CA-C 66.368 -16.531 . . . . 0.0 66.368 -143.382 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' C ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -51.89 9.05 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.671 3 C-N-CA 171.721 20.008 . . . . 0.0 110.195 134.406 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.496 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 98.99 111.99 3.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.55 ' CB ' HD22 ' A' ' 50' ' ' LEU . 17.1 m -152.91 -50.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.739 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -175.26 -70.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.608 ' H ' HD23 ' A' ' 50' ' ' LEU . . . -71.92 -106.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 32.06 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.856 ' OG ' ' HB3' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -80.2 63.85 4.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 53' ' ' SER . 1.7 p -158.97 43.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.484 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -126.25 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 108.245 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.652 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -88.95 -76.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER 80.08 -179.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.706 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -45.32 120.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -83.58 171.68 13.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -73.25 3.71 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.7 tt0 84.18 -51.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 11.9 t-160 -65.03 -2.96 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.559 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 59' ' ' PHE . 10.2 mm -101.16 -47.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.918 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.4 t80 -95.82 -52.3 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.64 -25.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -81.15 47.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -166.63 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.65 65.77 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' H ' HD12 ' A' ' 67' ' ' LEU . . . -163.1 128.58 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.396 1.06 . . . . 0.0 109.271 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' OG1' ' A' ' 71' ' ' THR . 8.5 tt -173.73 130.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.6 m -157.09 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 71' ' ' THR . 1.0 OUTLIER -38.86 -31.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -75.37 -64.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -48.57 -53.65 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 77' ' ' MET . 5.2 m120 -38.16 -61.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 73' ' ' GLU . 16.4 m-20 44.86 -94.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.58 ' CG ' ' HA ' ' A' ' 50' ' ' LEU . 2.3 mpp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.49 4.35 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 59' ' ' PHE . 3.2 ptt180 -128.15 51.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -156.49 133.73 10.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.33 93.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.02 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.601 1.188 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.493 ' HA2' ' HE3' ' A' ' 77' ' ' MET . . . 30.79 72.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.496 ' SG ' ' HA2' ' A' ' 48' ' ' GLY . 15.1 p -81.45 66.26 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -162.77 32.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.92 148.65 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.23 153.71 21.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -55.27 171.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 98' ' ' LYS . 28.4 m -148.19 174.31 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' H ' HG22 ' A' ' 97' ' ' THR . . . -79.69 -38.56 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.413 ' O ' HD11 ' A' ' 63' ' ' ILE . . . -61.24 -33.33 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.415 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 47.5 mtt -76.45 3.16 11.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 46.3 t0 -61.76 104.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 7.9 t-20 90.54 33.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.869 ' HG2' HG22 ' A' ' 9' ' ' VAL . 4.4 ptt? -76.54 127.73 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.515 ' CG2' HD11 ' A' ' 12' ' ' ILE . 89.0 m -97.35 93.54 6.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.243 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.706 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 15.7 m -87.41 133.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -127.66 110.97 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 57' ' ' LEU . 4.5 t -55.16 108.73 1.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.661 1.225 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.566 1.824 . . . . 0.0 111.033 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' ALA . 0.3 OUTLIER 173.26 43.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.856 ' HB3' ' OG ' ' A' ' 53' ' ' SER . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.1 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -129.45 162.83 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' A' ' 96' ' ' LEU . 3.4 pt -128.98 169.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' VAL . 58.1 m -113.12 168.04 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.3 t -160.88 153.13 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' VAL . 10.9 m-70 -126.51 114.85 18.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.358 1.036 . . . . 0.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 69.0 m-85 -102.5 127.06 49.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.973 HD12 ' HB2' ' A' ' 106' ' ' ARG . 23.5 mt -95.26 129.05 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -83.46 -169.08 2.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -86.11 45.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -164.28 -39.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.81 17.4 3.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.1 mm-40 -87.25 71.67 10.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.4 m -36.23 118.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 38' ' ' LEU . 2.7 mm? -82.37 -46.4 13.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 45.3 m 65.39 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -171.22 152.81 3.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.82 148.56 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -133.42 170.25 22.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.28 133.97 55.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 0.771 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.5 tt -60.68 110.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 11.57 20.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.44 172.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.3 p -179.91 163.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' LEU . 4.5 mm? 60.56 44.13 12.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 109.218 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 47' ' ' GLU . 2.6 mp 39.32 76.37 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.567 1.167 . . . . 0.0 109.218 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.616 ' O ' ' C ' ' A' ' 32' ' ' VAL . 21.2 t0 -98.62 -60.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 31' ' ' ASP . 69.4 t -21.71 -65.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.85 HG13 ' H ' ' A' ' 34' ' ' VAL . 1.8 p -42.65 -72.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.85 ' H ' HG13 ' A' ' 33' ' ' VAL . 45.3 t -53.17 -43.84 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.625 1.203 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -30.0 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 6.8 t30 -116.8 -16.53 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 27.2 t30 82.0 30.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -46.51 171.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.47 -57.24 4.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 41' ' ' ASP . 40.2 mm 52.43 -108.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.636 ' N ' HG22 ' A' ' 40' ' ' ILE . 8.7 t70 178.11 174.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.43 53.91 1.54 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 41' ' ' ASP . 15.8 m-30 -107.47 -168.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.603 0.825 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.848 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . 68.15 47.49 58.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.848 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.33 . . -92.06 -168.88 2.1 Favored 'General case' 1 CA--C 1.664 5.329 1 N-CA-C 70.023 -15.177 . . . . 0.0 70.023 179.971 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 3.24 172.55 0.0 OUTLIER 'General case' 2 C--N 1.036 -13.055 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -141.283 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.607 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.4 mt-10 -42.71 -26.11 0.11 Allowed 'General case' 1 C--N 1.021 -13.708 3 C-N-CA 171.63 19.972 . . . . 0.0 110.305 133.868 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 92' ' ' CYS . . . 138.46 2.3 2.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.458 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 18.8 m -36.11 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 0.74 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.74 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER 84.56 122.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 50' ' ' LEU . . . 87.93 36.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -68.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.579 1.174 . . . . 0.0 108.382 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -115.67 -169.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.994 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 43' ' ' PHE . 53.0 p -64.49 -115.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 7.1 m 83.69 42.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -118.34 119.03 33.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.539 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mp -142.08 157.81 44.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.733 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 0.1 OUTLIER -71.43 150.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 10.5 m-85 -140.3 137.54 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 44.6 mt-10 -42.26 123.99 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.8 tt0 -55.0 -33.16 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 57.6 t-80 -88.83 22.7 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.806 HG23 ' HB1' ' A' ' 99' ' ' ALA . 27.9 mm -127.73 -52.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -90.51 -58.31 2.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -41.35 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.374 1.046 . . . . 0.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.769 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -77.0 42.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -150.66 157.77 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -116.08 75.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.65 130.37 4.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.395 1.059 . . . . 0.0 109.201 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.763 ' CG1' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tt -173.45 -175.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 72' ' ' ASP . 30.8 m -122.07 -172.33 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.84 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -14.39 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -150.45 48.25 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HA ' ' CG1' ' A' ' 70' ' ' ILE . 1.1 pt-20 91.84 30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.512 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 17.8 t-20 -82.56 -94.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.587 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.4 OUTLIER 36.39 32.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.237 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.587 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 6.6 tpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' ARG . 87.0 m . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.601 ' N ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -38.92 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 88' ' ' SER . 0.2 OUTLIER 172.55 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.733 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER 56.32 145.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -163.39 -155.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 92' ' ' CYS . 0.8 OUTLIER -97.36 144.13 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.61 58.43 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.444 1.09 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.944 ' O ' HG23 ' A' ' 94' ' ' ILE . 30.9 m -144.0 161.77 37.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.541 HE22 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 36.73 32.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.218 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.944 HG23 ' O ' ' A' ' 92' ' ' CYS . 1.1 pt -129.43 86.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 19.5 m -50.62 162.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 108.359 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 7' ' ' ILE . 12.1 mt -68.28 167.54 14.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 98' ' ' LYS . 51.1 m -158.14 174.12 15.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.495 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.516 ' H ' HG22 ' A' ' 97' ' ' THR . . . -71.67 -20.78 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.806 ' HB1' HG23 ' A' ' 63' ' ' ILE . . . -69.25 -46.3 67.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 4.1 mtt -78.76 3.9 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 45.3 t0 -59.4 95.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.4 t30 75.54 49.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.695 ' HG2' HG22 ' A' ' 9' ' ' VAL . 9.7 ptt? -98.7 145.35 26.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.556 HG22 HD11 ' A' ' 12' ' ' ILE . 61.3 m -96.33 97.35 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 11' ' ' PHE . 24.2 m -94.48 135.76 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.973 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.8 tmt_? -136.4 144.93 44.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 p -116.8 130.11 24.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -88.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.597 1.841 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -161.45 147.66 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.396 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -120.66 161.97 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.842 HG12 HD13 ' A' ' 96' ' ' LEU . 2.8 pt -125.84 -161.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.416 1.073 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -145.7 156.69 43.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.634 HG22 ' SD ' ' A' ' 103' ' ' MET . 68.9 t -150.67 130.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 104' ' ' THR . 0.2 OUTLIER -103.83 108.85 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.911 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -86.99 77.15 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.328 1.017 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 17' ' ' GLU . 29.0 mt -44.5 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 t-20 -63.01 -151.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HD3' ' CG1' ' A' ' 107' ' ' VAL . 45.6 mmm-85 -117.58 -33.72 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -73.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.66 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -111.6 -10.61 18.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 40.89 110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 0.0 110.374 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 18' ' ' THR . 1.2 m 152.42 26.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 110.386 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' HB2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -35.8 -60.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 13.0 m 65.26 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 32' ' ' VAL . 8.3 t -141.86 146.97 36.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.61 128.37 37.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -114.61 176.98 17.26 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.579 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -122.89 142.4 50.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.398 0.705 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.1 tt -68.46 105.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 129.29 -5.55 6.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -46.4 172.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.66 172.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER 41.09 54.01 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.5 mm? 58.62 114.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.4 t0 -147.98 -153.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.831 HG22 ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER 38.09 -89.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.911 HG21 ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -49.8 -46.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 30' ' ' LEU . 98.9 t -73.67 -59.13 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 32' ' ' VAL . 1.1 pt20 -46.13 -35.98 5.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.65 ' OD1' HD22 ' A' ' 38' ' ' LEU . 4.3 t-20 -78.71 -32.65 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.623 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.6 t30 94.12 10.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD22 ' OD1' ' A' ' 36' ' ' ASN . 0.3 OUTLIER -41.05 161.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.47 71.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.689 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.5 pp -67.25 90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -88.41 89.84 8.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.13 -37.98 3.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.972 ' CD1' HD11 ' A' ' 57' ' ' LEU . 20.1 m-85 -47.88 109.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.628 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 62.95 153.25 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.316 . . 177.56 -169.6 0.08 Allowed 'General case' 1 CA--C 1.667 5.461 1 N-CA-C 68.975 -15.565 . . . . 0.0 68.975 -179.987 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 48' ' ' GLY 0.419 8.1 p 6.22 172.53 0.0 OUTLIER 'General case' 2 C--N 1.028 -13.413 2 N-CA-C 66.39 -16.522 . . . . 0.0 66.39 -140.98 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.74 66.78 0.09 Allowed 'General case' 1 C--N 1.021 -13.714 3 C-N-CA 171.564 19.946 . . . . 0.0 110.328 133.808 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.727 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . 124.02 162.02 11.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.867 HG22 ' CD ' ' A' ' 93' ' ' GLN . 4.6 t -83.95 121.12 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.711 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER 171.14 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.383 1.052 . . . . 0.0 109.246 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -86.25 -97.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.556 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.8 p -29.79 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 108.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . 34.3 p 42.04 66.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -166.19 -93.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.4 p 38.12 31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 57' ' ' LEU . 7.3 p80 -75.65 -172.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.688 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER 163.96 166.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.218 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -92.06 107.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.231 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.737 ' HE1' HD13 ' A' ' 63' ' ' ILE . 1.1 t80 -110.09 143.7 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.985 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -42.08 118.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -51.84 -19.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.0 t60 -79.87 4.49 16.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 60' ' ' GLU . 4.4 mt -126.97 -50.42 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.65 ' CG ' ' HB3' ' A' ' 59' ' ' PHE . 2.3 m-30 -80.15 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.86 -24.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -60.95 -22.18 64.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm? -49.74 159.37 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -85.04 65.78 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . 70.03 173.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 70' ' ' ILE . 14.7 tt -143.09 113.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 m -119.36 175.18 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -50.81 -23.48 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -39.65 16.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . 1.3 tm-20 -73.76 -38.47 64.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.63 1.206 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 72' ' ' ASP . 29.0 p30 -89.57 25.34 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.629 ' O ' ' CB ' ' A' ' 77' ' ' MET . 11.8 t70 -69.91 112.88 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.629 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.1 tpt . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.411 1.069 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 86' ' ' ASP . 1.9 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 85' ' ' THR . 1.6 m-20 -90.62 14.44 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -135.47 46.9 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 7.0 t -163.12 143.44 9.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.618 ' HG3' ' CE2' ' A' ' 64' ' ' PHE . 0.3 OUTLIER 174.81 140.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.8 tt -37.31 141.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.16 121.11 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -156.23 -45.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.867 ' CD ' HG22 ' A' ' 49' ' ' THR . 67.8 mt-30 -83.43 -18.47 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 94' ' ' ILE . 1.1 tp -63.33 95.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.3 p -44.8 165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 108.255 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 7' ' ' ILE . 8.0 mt -67.76 169.05 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 98' ' ' LYS . 5.3 m -157.86 177.41 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.527 ' H ' HG22 ' A' ' 97' ' ' THR . . . -74.9 -54.59 6.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 63' ' ' ILE . . . -55.31 -22.98 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.501 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 33.3 mtt -85.67 -1.84 57.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.9 t0 -69.49 112.32 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 3.6 m120 83.5 19.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.667 ' HG3' HG13 ' A' ' 105' ' ' VAL . 2.6 ptt? -63.26 106.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 10' ' ' HIS . 37.9 m -78.15 83.24 4.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 103' ' ' MET . 8.1 m -74.81 130.45 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.727 ' C ' HD23 ' A' ' 57' ' ' LEU . 16.7 ttt180 -129.72 131.88 46.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 8.7 p -71.75 139.54 83.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.4 Cg_endo -74.97 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.634 1.86 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 t70 179.16 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 5' ' ' ASP . . . 48.89 176.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 96' ' ' LEU . 41.7 pt -142.4 -170.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' ASN . 2.7 m -141.71 149.77 40.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' A' ' 103' ' ' MET . 61.7 t -142.88 144.96 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 103' ' ' MET . 26.1 m170 -114.61 119.03 35.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CB ' HD11 ' A' ' 38' ' ' LEU . 22.7 m-85 -101.72 104.8 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.898 HD12 ' HB2' ' A' ' 106' ' ' ARG . 33.1 mt -72.42 121.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -81.91 -170.56 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -86.59 42.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.206 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.43 -39.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.28 16.47 3.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.8 mt-10 -87.59 67.98 9.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 0.759 . . . . 0.0 110.21 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.525 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 0.9 OUTLIER -36.85 106.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CB ' HD21 ' A' ' 38' ' ' LEU . 2.5 mm? -61.43 -49.16 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.448 1.093 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.525 ' OG1' ' CG2' ' A' ' 18' ' ' THR . 15.5 m 65.58 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.781 ' CG2' HG12 ' A' ' 32' ' ' VAL . 6.5 t -146.83 149.48 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.366 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -81.14 152.62 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -136.59 157.18 23.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -117.22 147.83 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 25' ' ' ILE . 18.9 tt -67.96 114.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.37 -23.51 10.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.478 ' CG ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -62.04 154.03 27.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.389 0.699 . . . . 0.0 109.404 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.4 p -155.01 -151.95 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.791 HD12 ' N ' ' A' ' 30' ' ' LEU . 3.4 pp 35.43 -151.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -87.14 46.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CG ' ' N ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -76.73 -54.56 6.47 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.781 HG12 ' CG2' ' A' ' 21' ' ' THR . 14.4 t -63.89 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' ASN . 76.5 t -56.59 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 35' ' ' GLN . 65.9 t -58.59 -43.43 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.5 mm-40 -28.24 -45.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 2.5 t-20 -120.22 -12.06 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.6 t-20 86.11 32.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.351 1.032 . . . . 0.0 109.375 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -36.9 127.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' ILE . 38.1 t0 -82.91 53.7 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.19 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 43' ' ' PHE . 2.7 pt -52.57 -104.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 14' ' ' ARG . 11.7 t70 176.28 116.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.29 -40.79 3.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' HA ' HD11 ' A' ' 40' ' ' ILE . 35.6 m-85 61.07 128.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.812 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.805 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -33.09 134.07 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.805 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.321 . . -98.56 -169.23 1.76 Allowed 'General case' 1 CA--C 1.666 5.434 1 N-CA-C 69.511 -15.366 . . . . 0.0 69.511 -179.996 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 52' ' ' CYS 0.419 8.0 p 4.8 172.62 0.0 OUTLIER 'General case' 2 C--N 1.032 -13.232 2 N-CA-C 66.404 -16.517 . . . . 0.0 66.404 -141.224 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HA ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -56.96 10.01 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.692 3 C-N-CA 171.662 19.985 . . . . 0.0 110.294 134.198 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.494 ' CA ' ' HB2' ' A' ' 92' ' ' CYS . . . 97.61 108.28 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 50' ' ' LEU . 32.2 m -157.61 -42.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 0.73 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.879 ' O ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -131.94 -108.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' HB3' ' A' ' 77' ' ' MET . . . -145.84 25.07 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.569 1.168 . . . . 0.0 109.22 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 11.6 m -16.99 -64.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.432 1.082 . . . . 0.0 108.248 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 157.24 -51.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.06 57.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.456 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -150.97 -53.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 108.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 11.9 p-80 -42.67 156.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -165.1 172.83 12.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 1.2 mp -95.52 107.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HD1' HG12 ' A' ' 105' ' ' VAL . 2.9 m-85 -116.29 135.52 53.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.642 1.214 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -31.62 142.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -82.43 11.08 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -123.62 6.8 8.85 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.497 1.123 . . . . 0.0 109.526 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 99' ' ' ALA . 10.2 mm -124.78 -44.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.363 1.039 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 59' ' ' PHE . 1.1 m-85 -98.81 -54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 61' ' ' GLN . 5.0 tp10 -41.24 -26.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -85.09 46.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.6 mt -156.16 65.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.95 89.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 89' ' ' ARG . . . -155.57 96.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.37 116.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.652 1.22 . . . . 0.0 109.301 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 m -119.35 170.07 9.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 t70 -44.59 -42.0 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -64.8 -37.14 86.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -76.72 -43.87 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -91.85 17.33 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ASP . 3.7 t0 -71.56 -46.59 59.0 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.886 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 10.0 tpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.75 HG22 ' H ' ' A' ' 86' ' ' ASP . 7.7 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.75 ' H ' HG22 ' A' ' 85' ' ' THR . 62.9 m-20 -91.64 -6.51 52.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 59' ' ' PHE . 1.7 ptt180 -127.54 62.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -152.61 172.41 16.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 178.48 -147.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 50' ' ' LEU . 33.8 tp -117.59 157.4 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.13 64.95 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.494 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.2 p -176.47 34.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 92' ' ' CYS . 15.5 mm100 -149.53 -51.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -93.61 115.55 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.377 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.26 171.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 108.259 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 7' ' ' ILE . 9.4 mt -62.9 171.78 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.609 ' O ' HD13 ' A' ' 7' ' ' ILE . 4.2 m -155.86 169.87 23.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -72.95 -38.05 66.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.236 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.951 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -60.23 -28.31 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mtt -76.09 -8.74 57.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 5.5 p-10 -57.94 118.31 5.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 m-20 84.23 18.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.984 ' HB3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -48.23 162.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.671 1.232 . . . . 0.0 111.104 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.662 HG22 HD11 ' A' ' 12' ' ' ILE . 55.2 m -138.41 58.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.691 HG12 ' HD1' ' A' ' 59' ' ' PHE . 4.2 m -59.46 128.98 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.898 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.6 ttp85 -125.64 127.83 46.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 110.246 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 79.8 t -67.62 131.06 92.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 107' ' ' VAL . 18.3 Cg_endo -74.97 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.388 1.73 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.89 162.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -43.93 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 96' ' ' LEU . 1.2 pp -131.95 174.11 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -117.22 156.47 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 41.4 t -147.77 133.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 105' ' ' VAL . 17.7 m170 -100.88 107.85 19.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.54 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.981 ' CZ ' HD12 ' A' ' 40' ' ' ILE . 37.7 t80 -94.33 85.42 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.565 HG23 ' HA2' ' A' ' 16' ' ' GLY . 22.2 mt -56.18 113.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' OD1' HD21 ' A' ' 19' ' ' LEU . 2.8 t30 -65.53 -167.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.208 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 40.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -160.55 -41.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.573 1.17 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.565 ' HA2' HG23 ' A' ' 12' ' ' ILE . . . 133.21 -5.1 4.96 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.4 mt-10 -62.29 76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 0.826 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' GLY . 1.2 m -37.36 98.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 17' ' ' GLU . 1.8 mm? -59.22 -50.23 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.346 1.029 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 2.4 m 65.05 139.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.465 1.103 . . . . 0.0 110.484 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 t -165.87 158.23 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -116.88 126.42 52.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.811 ' CA ' HG23 ' A' ' 32' ' ' VAL . . . -120.56 174.6 15.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.599 1.187 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -105.55 151.48 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.3 tt -62.07 111.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.236 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.13 19.58 10.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.075 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.01 117.95 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.69 -169.16 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 28' ' ' SER . 5.8 mp 59.95 41.89 16.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.163 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.667 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.2 mm? 66.08 65.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.0 t0 -115.13 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.811 HG23 ' CA ' ' A' ' 23' ' ' GLY . 9.8 p -43.18 -52.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.943 HG21 HD13 ' A' ' 40' ' ' ILE . 15.9 t -52.48 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 35' ' ' GLN . 82.3 t -46.96 -49.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -33.2 -42.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 49.2 t30 -104.64 -27.16 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 15.3 t30 94.43 23.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -39.37 157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 40' ' ' ILE . 26.2 t0 -54.08 -49.29 69.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.981 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 2.5 tp 35.61 60.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.82 93.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.639 1.212 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 110.31 24.27 5.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 40' ' ' ILE . 5.0 p90 -35.33 148.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.734 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -39.0 132.8 1.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.305 . . -94.38 -170.31 2.24 Favored 'General case' 1 CA--C 1.669 5.539 1 N-CA-C 68.225 -15.843 . . . . 0.0 68.225 -179.982 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.663 ' SG ' ' SG ' ' A' ' 52' ' ' CYS 0.421 8.0 p 9.19 172.61 0.0 OUTLIER 'General case' 2 C--N 1.02 -13.734 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -140.916 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' C ' HD23 ' A' ' 30' ' ' LEU . 39.1 mt-10 -64.56 23.56 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.694 3 C-N-CA 171.697 19.999 . . . . 0.0 110.29 134.33 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.543 ' O ' HD23 ' A' ' 29' ' ' LEU . . . 86.78 100.37 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 49' ' ' THR . 1.2 m -170.65 14.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 13.3 mt 53.37 110.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 162.72 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.245 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.742 ' O ' ' HE2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -107.27 -172.64 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.233 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.1 t -150.56 20.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.0 p -90.16 -17.45 27.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 0.0 110.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.15 -2.26 47.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -43.02 121.39 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.637 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 11' ' ' PHE . 12.7 mt -145.43 165.6 28.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 106' ' ' ARG . 1.3 mp -109.0 120.87 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.54 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -113.97 120.44 40.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.647 ' CB ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -34.2 124.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.224 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' GLU . 22.6 pt20 -49.63 -33.62 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -60.85 -12.66 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.678 1.236 . . . . 0.0 109.613 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.647 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.1 mt -107.57 -38.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 63.1 t80 -87.41 -58.32 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.16 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.0 pt-20 -35.84 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.394 1.059 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -84.88 43.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.796 HD11 ' HD2' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -177.0 78.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.16 68.68 9.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.48 79.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' C ' ' OG1' ' A' ' 71' ' ' THR . 6.3 tt -158.18 146.14 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.649 1.218 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.467 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 1.2 m -156.23 177.63 11.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -22.5 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.08 -48.61 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 71' ' ' THR . 1.9 tp10 -46.98 -38.45 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 76' ' ' ASP . 2.3 p30 -37.85 -43.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.294 0.996 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 77' ' ' MET . 97.4 m-20 45.38 98.74 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.742 ' HE2' ' O ' ' A' ' 52' ' ' CYS . 1.4 tmm? . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.446 1.091 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.09 -4.18 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' PHE . 2.2 ptt180 -126.5 59.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 t -155.49 151.42 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.052 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.796 ' HD2' HD11 ' A' ' 67' ' ' LEU . 12.7 ttt85 -137.88 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 91' ' ' GLY . 1.3 tm? 66.16 -68.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 90' ' ' LEU . . . 139.38 164.7 9.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' ILE . 12.1 p 44.12 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 19.0 mt-30 66.36 -63.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -43.92 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.4 m -65.53 162.63 17.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 97' ' ' THR . 1.9 mt -68.16 149.64 49.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 96' ' ' LEU . 17.0 p -158.54 173.76 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -67.32 -39.4 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.21 76.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.4 mtt -88.56 3.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 23.4 t70 -62.45 102.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.8 m-20 85.33 25.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 17.0 ptm -69.31 136.1 51.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.537 ' CG2' HD11 ' A' ' 12' ' ' ILE . 26.8 m -95.04 89.69 5.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.118 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.685 HG13 ' HG3' ' A' ' 103' ' ' MET . 10.1 m -82.79 120.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.888 ' O ' HD12 ' A' ' 58' ' ' ILE . 14.2 ttt180 -128.97 137.06 51.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 28.8 m -65.22 144.07 98.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 Cg_endo -74.89 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -162.89 134.93 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.347 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.889 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.886 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.64 137.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 153.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.9 t70 -38.34 -59.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.51 -171.36 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.05 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -44.01 -23.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.39 -72.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -108.65 -40.03 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 77' ' ' MET . 2.6 mp -47.78 -96.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 74.1 -64.01 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.7 tp -155.22 43.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 84' ' ' LEU . . . -47.64 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -32.1 99.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.57 -27.51 5.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -52.99 137.68 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m -133.27 -88.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.518 ' SG ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.886 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.9 109.26 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.546 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -122.69 163.07 20.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.91 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 pp -135.94 166.39 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -118.19 157.51 26.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG13 HG13 ' A' ' 105' ' ' VAL . 53.6 t -150.98 148.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -115.9 110.99 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.619 1.199 . . . . 0.0 109.567 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CG ' ' CG2' ' A' ' 105' ' ' VAL . 28.4 m-85 -94.41 127.3 40.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 106' ' ' ARG . 9.5 mt -98.56 135.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.4 1.062 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -91.74 -165.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.59 39.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -157.97 -39.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.07 14.54 4.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.399 1.062 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.7 mt-10 -82.69 70.65 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 0.816 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.6 m -36.48 120.38 0.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.7 mm? -83.12 -46.16 13.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 33.5 m 66.91 136.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.393 1.058 . . . . 0.0 110.52 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 11' ' ' PHE . 4.0 t -157.81 152.04 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -93.88 142.9 26.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -128.1 173.47 18.94 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.55 1.156 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -120.85 129.35 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.399 0.705 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' O ' ' A' ' 5' ' ' ASP . 1.8 tt -56.86 110.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.19 19.92 11.04 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.412 1.07 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.2 OUTLIER -54.84 172.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.347 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.9 172.06 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.898 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 mp 51.97 61.57 3.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.598 1.187 . . . . 0.0 109.382 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.739 HD22 ' CB ' ' A' ' 92' ' ' CYS . 4.0 mm? 63.93 -82.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 52.36 -163.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' VAL . 92.9 t 48.88 -90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -39.72 -45.17 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG22 ' HE2' ' A' ' 43' ' ' PHE . 50.4 t -79.17 -51.67 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -31.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.591 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 42.1 t-20 -110.48 -31.26 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 34.7 t30 88.85 32.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.386 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -32.56 133.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.198 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.94 67.32 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.678 HG13 HD12 ' A' ' 38' ' ' LEU . 14.5 mt -143.42 92.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -58.14 156.51 9.51 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.589 1.181 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.48 -28.19 7.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' HE2' HG22 ' A' ' 34' ' ' VAL . 21.9 p90 -37.32 101.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.677 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 49.95 176.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 52' ' ' CYS 0.281 . . 154.76 -172.6 0.0 OUTLIER 'General case' 1 CA--C 1.676 5.791 1 N-CA-C 66.112 -16.625 . . . . 0.0 66.112 179.92 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' N ' ' A' ' 50' ' ' LEU 0.42 8.1 p 18.72 172.58 0.0 OUTLIER 'General case' 2 C--N 1.001 -14.56 3 N-CA-C 66.398 -16.519 . . . . 0.0 66.398 -141.678 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 48' ' ' GLY . 72.7 mt-10 -63.93 66.21 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.686 3 C-N-CA 171.745 20.018 . . . . 0.0 110.274 133.553 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 31.36 48.22 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.605 1.19 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.57 8.55 8.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.757 . . . . 0.0 110.475 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 14.1 mt 56.16 110.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 166.13 -30.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 27.6 p -78.8 -44.84 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 54' ' ' THR . 22.5 p 59.59 75.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 53' ' ' SER . 3.9 p -160.55 -36.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 54' ' ' THR . 25.4 p -56.0 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 108.262 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER 73.89 153.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.601 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -167.11 163.89 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -78.68 116.24 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 105' ' ' VAL . 8.3 m-85 -117.27 141.87 47.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PHE . 5.3 mm-40 -30.15 112.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.5 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 5.6 pt20 -48.18 -43.78 32.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.526 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 51.5 t60 -61.13 -9.76 5.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 99' ' ' ALA . 42.6 mm -103.99 -43.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.552 1.157 . . . . 0.0 109.352 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD23 ' A' ' 67' ' ' LEU . 18.3 t80 -81.3 -65.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.38 1.05 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm-40 -27.46 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -79.23 55.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.811 HD23 ' HA ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -173.1 150.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.629 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.3 mt-10 -44.01 116.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 70' ' ' ILE . . . -88.95 -174.24 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER 47.49 -173.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 70' ' ' ILE . 44.4 m -125.37 175.26 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.554 ' H ' HG22 ' A' ' 71' ' ' THR . 2.1 t70 -42.69 -64.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -78.83 36.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.699 ' O ' ' CB ' ' A' ' 75' ' ' ASN . 19.1 mm-40 60.51 42.59 14.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 110.324 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.699 ' CB ' ' O ' ' A' ' 74' ' ' GLU . 12.2 p-10 103.91 33.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 73' ' ' GLU . 7.3 t0 -38.24 -67.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 78' ' ' LEU . 4.0 tpt -96.1 47.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 75' ' ' ASN . 0.7 OUTLIER -57.36 -161.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.603 ' OD2' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -113.24 -20.66 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' H ' ' CD1' ' A' ' 78' ' ' LEU . 0.2 OUTLIER 47.77 30.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 84' ' ' LEU . . . -122.86 89.5 3.12 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.074 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.829 ' O ' HD23 ' A' ' 84' ' ' LEU . 70.3 t80 54.67 173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 82' ' ' TYR . . . -36.25 -53.11 1.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.961 ' HG ' HG23 ' A' ' 85' ' ' THR . 0.1 OUTLIER 40.01 -159.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.961 HG23 ' HG ' ' A' ' 84' ' ' LEU . 41.7 p 51.47 -157.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-20 67.66 3.47 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -174.89 -32.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.617 ' OG ' ' CD2' ' A' ' 56' ' ' HIS . 32.8 t -70.97 164.39 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.641 ' CZ ' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -166.7 164.91 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' HB2' ' A' ' 93' ' ' GLN . 11.9 tp -58.95 152.57 19.33 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.54 68.86 0.5 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.497 1.123 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.739 ' CB ' HD22 ' A' ' 30' ' ' LEU . 1.2 p -174.96 -44.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.643 ' HB2' HD23 ' A' ' 90' ' ' LEU . 75.1 mt-30 -90.37 -47.09 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.217 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.641 HG21 ' CZ ' ' A' ' 89' ' ' ARG . 1.5 pp -72.75 104.04 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 22.4 m -55.53 160.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.178 . . . . 0.0 108.254 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 7' ' ' ILE . 11.4 mt -57.5 172.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 m -155.4 167.48 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -61.95 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 39.8 mtt -94.95 -4.31 46.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 28.2 t70 -51.57 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 32.7 t30 82.85 41.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.493 ' HG2' HG22 ' A' ' 9' ' ' VAL . 1.4 ptt? -91.8 149.12 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 12' ' ' ILE . 29.5 m -96.32 105.45 17.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 110.319 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 59' ' ' PHE . 16.7 m -92.29 120.04 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.9 tmt_? -124.9 136.19 53.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.62 132.98 23.62 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -7.73 19.53 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.577 1.83 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.22 119.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 25' ' ' ILE . 34.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -127.78 163.24 24.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.946 HD11 ' CD2' ' A' ' 96' ' ' LEU . 9.2 pt -140.29 137.28 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -83.85 152.3 24.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.974 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.5 t -147.0 156.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 1.083 ' CD2' HG23 ' A' ' 18' ' ' THR . 16.0 t-160 -123.37 123.53 40.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 38' ' ' LEU . 49.1 m-85 -112.25 90.88 3.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.762 HD12 ' HB2' ' A' ' 106' ' ' ARG . 48.2 mt -61.88 118.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.603 1.189 . . . . 0.0 109.4 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -69.65 167.26 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -52.38 -32.65 39.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.662 1.226 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -34.03 16.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.87 7.17 8.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.635 ' O ' HD22 ' A' ' 19' ' ' LEU . 63.4 mt-10 -68.44 75.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.083 HG23 ' CD2' ' A' ' 10' ' ' HIS . 26.9 m -28.79 126.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 ' O ' ' A' ' 17' ' ' GLU . 2.8 mm? -93.55 -53.53 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m 63.38 131.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.454 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.528 ' HB ' HD13 ' A' ' 38' ' ' LEU . 2.8 t -156.01 154.6 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -101.21 122.57 43.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -102.01 173.87 23.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.19 140.73 49.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 0.783 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 5' ' ' ASP . 19.8 tt -66.82 111.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 112.62 4.51 24.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -44.45 166.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 83.7 p -118.64 -168.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 29' ' ' LEU . 2.7 pp -38.37 129.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 45.28 -100.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.201 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 65.9 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.48 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.1 t -33.6 -38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' ASN . 80.8 t -62.25 -60.17 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ASN . 22.6 t -75.03 -54.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.067 . . . . 0.0 109.182 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.71 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.348 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 17.1 t-20 -110.61 -27.54 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 82.47 17.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 11' ' ' PHE . 4.7 tp -41.2 159.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.71 62.1 0.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 1.4 pt -89.26 85.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -46.25 116.16 1.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.551 1.157 . . . . 0.0 109.229 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' ' HB ' ' A' ' 54' ' ' THR . . . 104.09 24.0 7.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 25.2 p90 -38.78 155.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 54' ' ' THR . . . -49.58 102.08 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.346 . . -62.63 -167.86 0.02 OUTLIER 'General case' 1 CA--C 1.66 5.191 1 N-CA-C 71.404 -14.665 . . . . 0.0 71.404 179.913 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 50' ' ' LEU 0.417 8.3 p -0.77 172.61 0.0 OUTLIER 'General case' 2 C--N 1.049 -12.49 2 N-CA-C 66.431 -16.507 . . . . 0.0 66.431 -141.75 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.9 mt-10 -49.6 -6.51 0.02 OUTLIER 'General case' 1 C--N 1.021 -13.678 3 C-N-CA 171.661 19.984 . . . . 0.0 110.33 134.074 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 49' ' ' THR . . . 115.47 179.0 18.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.571 1.169 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 48' ' ' GLY . 56.7 m 73.0 35.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 0.718 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.763 ' HB3' ' S1 ' ' A' ' 146' ' ' FES . 0.9 OUTLIER -147.5 -137.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.632 ' N ' ' S1 ' ' A' ' 146' ' ' FES . . . -160.63 30.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.648 ' N ' HD23 ' A' ' 50' ' ' LEU . 4.3 p -58.79 -116.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 0.0 108.238 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 35.1 m -174.36 30.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 42' ' ' GLY . 1.2 p -110.81 -11.89 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 56' ' ' HIS . 19.9 p -109.71 -11.08 14.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 55' ' ' CYS . 15.4 t-160 -36.39 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.08 . . . . 0.0 109.535 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.2 mp 50.79 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -103.16 111.76 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.428 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -112.05 128.35 56.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.11 146.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.41 1.068 . . . . 0.0 110.326 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.45 -12.51 53.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.486 ' O ' HD13 ' A' ' 63' ' ' ILE . 45.5 t-80 -78.35 -5.12 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 62' ' ' HIS . 40.0 mm -123.59 -48.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -54.4 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -48.39 -21.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -85.73 45.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -151.28 83.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -83.63 69.22 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.07 137.83 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.587 HG12 ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -140.12 -164.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 72' ' ' ASP . 33.0 m -112.27 177.82 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 71' ' ' THR . 3.8 t70 -47.52 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -82.48 30.24 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 70' ' ' ILE . 10.7 mt-10 51.63 34.62 13.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.602 1.189 . . . . 0.0 110.366 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -86.31 -81.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.6 1.188 . . . . 0.0 109.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.552 ' CA ' ' OG1' ' A' ' 71' ' ' THR . 16.3 t70 46.61 64.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.595 ' HG3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER 61.53 53.22 3.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -89.9 -128.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.623 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -50.8 -17.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -29.02 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 79' ' ' ASP . . . -153.07 123.85 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.323 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -47.35 173.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.64 -11.27 46.22 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.337 1.023 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 86.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 0.702 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.0 m -105.83 -116.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -15.01 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -137.75 69.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.0 t -173.21 140.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.922 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.57 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.348 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 77' ' ' MET . 0.4 OUTLIER -169.68 143.85 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.33 28.39 0.56 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.456 ' HB2' ' HA3' ' A' ' 48' ' ' GLY . 6.2 p -100.36 -46.49 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.58 ' CD ' HD22 ' A' ' 90' ' ' LEU . 7.3 pt20 -76.96 54.2 1.0 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.427 1.079 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -164.48 164.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 p -102.12 168.47 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 108.21 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.946 ' CD2' HD11 ' A' ' 7' ' ' ILE . 7.1 mt -66.06 162.91 18.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.369 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.53 ' O ' HD13 ' A' ' 7' ' ' ILE . 6.3 m -156.08 170.12 22.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.397 1.061 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -76.97 -42.81 37.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.08 -20.66 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.609 ' O ' ' C ' ' A' ' 101' ' ' ASP . 4.1 mtp -90.84 -50.33 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.609 ' C ' ' O ' ' A' ' 100' ' ' MET . 57.0 t0 -22.1 115.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.448 1.092 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.582 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.3 t-20 88.14 29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.974 ' HG2' HG22 ' A' ' 9' ' ' VAL . 10.8 ptm -89.69 123.95 34.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.763 HG23 ' ND1' ' A' ' 10' ' ' HIS . 87.5 m -93.17 98.05 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 3.7 m -94.47 128.53 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.1 ttt85 -125.9 135.39 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.757 HG22 ' HD2' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -80.48 144.03 56.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.757 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.1 Cg_endo -75.06 177.05 9.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.5 t0 177.69 91.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.763 ' S1 ' ' HB3' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.751 ' O ' HG22 ' A' ' 25' ' ' ILE . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -118.23 158.35 25.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.888 HD11 HD22 ' A' ' 96' ' ' LEU . 5.8 pt -132.27 141.48 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.388 1.055 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -97.46 155.51 16.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.885 HG22 ' CG ' ' A' ' 103' ' ' MET . 1.4 t -143.73 156.17 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 12.6 m80 -119.98 129.41 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 m-85 -109.24 129.64 55.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 111.041 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.715 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.3 mt -87.37 147.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.924 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 17.3 t30 -128.45 -143.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -124.99 -38.16 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.067 . . . . 0.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -74.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.199 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -108.82 -9.28 26.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.924 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 31.72 100.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.769 ' O ' HG22 ' A' ' 18' ' ' THR . 1.1 m 160.86 32.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.832 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -55.39 -155.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER 169.3 168.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.476 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.509 HG21 HG12 ' A' ' 32' ' ' VAL . 14.9 t -175.62 137.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -83.72 131.04 34.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.595 1.185 . . . . 0.0 109.216 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.629 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -121.1 178.09 16.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -125.81 132.63 52.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.1 tt -56.78 103.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.62 13.31 9.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -45.63 168.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.433 0.725 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.14 -167.52 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.22 159.67 27.23 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 48' ' ' GLY . 23.0 mt 40.64 44.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.38 -164.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG12 HG21 ' A' ' 21' ' ' THR . 73.0 t 67.56 -92.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.72 HG13 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -41.25 -74.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.177 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.72 ' H ' HG13 ' A' ' 33' ' ' VAL . 77.9 t -48.68 -43.77 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 21.4 t-20 -112.84 -19.48 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 23.8 t30 83.01 24.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.1 tm? -39.98 154.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 38' ' ' LEU . 19.8 t70 -38.39 -59.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.1 tp 32.31 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.62 89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.544 ' C ' ' CG ' ' A' ' 43' ' ' PHE . . . 144.24 -39.98 1.21 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.388 1.055 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 42' ' ' GLY . 12.1 p90 40.17 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.586 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 40.79 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.394 1.059 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' HB3' ' CB ' ' A' ' 52' ' ' CYS 0.362 . . -65.82 -167.09 0.03 OUTLIER 'General case' 1 CA--C 1.655 5.004 1 N-CA-C 72.417 -14.29 . . . . 0.0 72.417 -179.998 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.417 8.2 p -3.64 172.57 0.0 OUTLIER 'General case' 2 C--N 1.058 -12.106 2 N-CA-C 66.429 -16.508 . . . . 0.0 66.429 -142.122 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.37 15.48 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.665 3 C-N-CA 171.62 19.968 . . . . 0.0 110.331 133.786 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 92.9 -164.75 27.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 27.1 m 73.58 5.21 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 77' ' ' MET . 5.7 mt 73.88 124.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . 170.53 -32.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 16.2 p -113.5 -171.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.465 ' HA ' HD13 ' A' ' 90' ' ' LEU . 13.9 p -134.07 8.27 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -104.32 62.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 110.361 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -127.77 -68.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 108.267 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -78.18 -47.87 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.643 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CA ' ' A' ' 107' ' ' VAL . 5.0 mp 70.24 177.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.8 OUTLIER -45.68 132.52 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 109.398 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -128.27 120.23 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 63' ' ' ILE . 1.2 mt-10 -23.15 108.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -45.16 -25.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t-80 -70.31 -3.04 15.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.033 HD12 ' HB1' ' A' ' 99' ' ' ALA . 20.6 mm -115.52 -49.3 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' ' O ' ' A' ' 88' ' ' SER . 9.9 t80 -73.57 -57.76 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -43.96 -23.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -80.51 44.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -148.83 104.44 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.13 63.26 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.74 112.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -173.84 125.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.1 m -153.3 174.96 13.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.474 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -39.44 -31.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 71' ' ' THR . 2.3 tt0 -73.31 -53.19 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' THR . 15.1 tp10 -61.49 -56.23 22.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 28.8 m120 -41.41 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.3 t0 78.11 -63.82 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.641 ' HB2' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -108.65 -40.03 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 77' ' ' MET . 2.6 mp -47.78 -96.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 74.1 -64.01 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.7 tp -155.22 43.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 84' ' ' LEU . . . -47.64 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -32.1 99.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.57 -27.51 5.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -52.99 137.68 32.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 m -133.27 -88.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -151.92 24.12 0.66 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 ptt-85 -133.69 -43.5 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.638 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -64.64 159.34 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -176.34 108.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' SER . 27.5 tp -62.23 133.37 55.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 92' ' ' CYS . . . -127.39 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.518 ' SG ' ' C ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER 52.39 22.43 2.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 91' ' ' GLY . 1.0 OUTLIER -165.66 27.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -130.68 143.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.45 154.2 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 108.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 7' ' ' ILE . 10.5 mt -50.63 173.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.394 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 7' ' ' ILE . 25.9 m -153.51 171.39 18.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' H ' HG22 ' A' ' 97' ' ' THR . . . -77.79 -23.63 49.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 1.033 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -69.58 -40.57 76.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 15.0 mtt -73.51 -1.02 16.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 18.8 t70 -62.36 95.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.5 m-20 84.75 44.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.885 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -98.26 149.3 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 95.6 m -105.91 109.28 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 103' ' ' MET . 27.7 m -93.48 137.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.692 1.245 . . . . 0.0 109.238 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.715 ' HB2' HD12 ' A' ' 12' ' ' ILE . 16.3 ttm180 -133.71 126.33 30.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.676 HG22 ' HD2' ' A' ' 108' ' ' PRO . 2.1 p -72.73 142.47 83.53 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.414 1.071 . . . . 0.0 109.391 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.5 Cg_endo -75.01 -8.58 20.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.95 98.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.546 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -99.69 167.05 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.718 ' CG1' HD13 ' A' ' 96' ' ' LEU . 1.7 pp -134.78 166.61 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 94.2 m -114.96 165.73 12.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 7.7 t -152.0 155.44 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.425 ' CD2' ' OG1' ' A' ' 20' ' ' THR . 18.1 m80 -131.43 114.16 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.562 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 62.5 t80 -102.68 115.8 31.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 106' ' ' ARG . 16.4 mt -82.23 109.48 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.527 ' ND2' HD21 ' A' ' 19' ' ' LEU . 2.0 t-20 -59.54 159.36 8.43 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.359 1.037 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -52.88 -24.97 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.353 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.84 -24.79 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 0.0 109.43 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.22 16.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.636 1.21 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' THR . 18.9 mt-10 -79.0 70.56 5.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.456 0.739 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.9 m -34.39 126.95 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.667 HD23 ' HD2' ' A' ' 11' ' ' PHE . 2.8 mm? -95.07 -51.93 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.425 ' OG1' ' CD2' ' A' ' 10' ' ' HIS . 2.1 m 63.7 137.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 32' ' ' VAL . 14.7 t -161.03 150.52 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -86.0 150.43 24.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -138.43 158.39 24.91 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.612 1.195 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 96' ' ' LEU . . . -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.41 117.36 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.37 14.05 15.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -107.65 145.15 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.4 p -100.18 156.62 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 91' ' ' GLY . 1.1 tt -42.13 -49.86 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD21 ' HA3' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -55.73 -42.69 75.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 35' ' ' GLN . 65.3 m-20 -65.05 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 21' ' ' THR . 88.0 t -37.34 -48.78 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 38' ' ' LEU . 41.6 t -61.54 -72.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 30' ' ' LEU . 87.3 t -46.23 -30.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.064 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.3 mt-30 -55.41 -29.41 58.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -128.03 4.98 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' VAL . 8.8 m-20 63.27 28.07 15.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.881 ' HB3' HG13 ' A' ' 33' ' ' VAL . 8.7 tt -41.15 157.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.193 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.69 ' N ' HD23 ' A' ' 38' ' ' LEU . 41.6 t0 -92.1 59.32 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.744 ' CG2' HG11 ' A' ' 33' ' ' VAL . 18.6 tt -73.63 82.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -48.7 105.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.96 -60.34 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.581 1.175 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 54.0 t80 55.48 163.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 0.8 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.68 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . -72.09 130.19 16.19 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.666 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.301 . . -101.32 -170.55 1.85 Allowed 'General case' 1 CA--C 1.669 5.551 1 N-CA-C 67.948 -15.945 . . . . 0.0 67.948 -179.977 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 49' ' ' THR . 8.0 p 9.71 5.72 0.0 OUTLIER 'General case' 1 C--N 1.019 -13.799 1 C-N-CA 153.747 12.819 . . . . 0.0 113.383 -140.923 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.4 OUTLIER 55.9 65.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.064 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 34.66 80.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' THR . 0.6 OUTLIER -156.09 18.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.528 0.781 . . . . 0.0 110.414 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 90' ' ' LEU . 37.6 mt 46.33 94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.38 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . 21.4 p -71.35 -41.7 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 8.5 p 60.38 42.87 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.915 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -117.94 -28.94 5.78 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.6 p -62.69 134.85 56.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.219 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.4 OUTLIER -176.62 117.05 0.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 106' ' ' ARG . 1.6 mm? -128.95 164.21 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.683 HG21 HH21 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -99.45 106.37 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' ARG . 7.8 m-85 -104.13 134.15 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' CB ' HD12 ' A' ' 63' ' ' ILE . 1.4 mt-10 -38.7 119.88 0.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.523 1.139 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 21.6 pt20 -50.31 -26.39 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 66' ' ' LYS . 56.9 t-80 -63.92 -9.99 18.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.544 1.153 . . . . 0.0 109.649 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.603 HG21 ' HG3' ' A' ' 100' ' ' MET . 6.1 mt -112.81 -49.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 9.8 t80 -71.89 -57.12 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.03 -26.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' O ' HD13 ' A' ' 67' ' ' LEU . . . -59.28 -16.59 22.49 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 109.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 66' ' ' LYS . 1.8 mm? -116.73 66.81 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.407 1.067 . . . . 0.0 109.384 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.3 72.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . -155.59 104.27 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' C ' ' OG1' ' A' ' 71' ' ' THR . 5.1 tt -174.96 130.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' GLU . 7.2 m -156.15 172.56 18.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' THR . 0.9 OUTLIER -37.11 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' THR . 1.3 tt0 -78.57 -68.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -40.53 -51.45 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.93 ' CB ' HD22 ' A' ' 78' ' ' LEU . 1.6 m-20 -42.82 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.632 ' O ' HD23 ' A' ' 78' ' ' LEU . 1.2 m-20 43.58 -90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 75' ' ' ASN . 18.0 tpp -85.92 49.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -74.97 -123.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.487 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.3 m-20 -162.02 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.907 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.6 tm? 68.94 21.38 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 109.386 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.02 151.07 32.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -39.97 153.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 88' ' ' SER . . . 103.79 -39.3 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -67.55 71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 58.0 m -113.32 -107.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.461 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 85' ' ' THR . 23.9 t0 -120.1 -2.32 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.381 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -135.14 50.98 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.237 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.7 t -150.28 121.03 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.553 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -132.21 145.92 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 92' ' ' CYS . 0.7 OUTLIER -44.45 119.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.215 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.716 ' O ' HD22 ' A' ' 29' ' ' LEU . . . -108.37 93.79 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 90' ' ' LEU . 24.9 p 177.1 -37.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -56.76 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 94' ' ' ILE . 10.8 tp -42.36 122.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.27 166.84 17.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 108.408 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 ' CG1' ' A' ' 7' ' ' ILE . 10.3 mt -65.01 158.38 25.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.411 ' OG1' ' C ' ' A' ' 96' ' ' LEU . 9.5 m -158.0 170.82 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.59 51.38 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.346 1.029 . . . . 0.0 109.301 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.89 -42.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.603 ' HG3' HG21 ' A' ' 63' ' ' ILE . 8.5 mtt -83.68 22.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -72.48 109.86 6.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.1 m-20 84.04 17.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.239 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 11.5 ptt? -60.72 133.3 55.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 49.6 m -94.99 94.05 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.706 HG13 ' HG3' ' A' ' 103' ' ' MET . 34.9 m -90.64 125.24 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.524 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 ttm180 -120.61 135.69 55.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 5.7 p -97.28 138.49 21.19 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.5 Cg_endo -75.01 -175.42 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.378 1.725 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.42 84.97 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.174 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -113.96 167.94 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 109.371 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.862 HD12 ' N ' ' A' ' 8' ' ' THR . 1.6 pp -135.52 -170.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.862 ' N ' HD12 ' A' ' 7' ' ' ILE . 93.9 m -143.54 156.11 44.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.869 HG22 ' HG2' ' A' ' 103' ' ' MET . 53.4 t -140.69 166.96 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.521 ' N ' HG12 ' A' ' 9' ' ' VAL . 23.5 m-70 -140.98 102.21 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 109.556 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.107 ' CD2' HD21 ' A' ' 38' ' ' LEU . 16.9 t80 -91.68 116.41 28.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.515 HD11 ' CG2' ' A' ' 104' ' ' THR . 21.3 mt -87.72 99.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.378 1.049 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' HB2' HD21 ' A' ' 19' ' ' LEU . 49.3 t30 -58.27 163.44 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -51.52 -31.89 25.67 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.3 -27.6 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.29 9.67 33.31 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.4 mm-40 -75.52 70.0 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 17' ' ' GLU . 2.1 m -30.8 123.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.921 HD23 ' CD2' ' A' ' 11' ' ' PHE . 3.6 mm? -89.69 -48.86 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.9 m 65.36 141.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 9' ' ' VAL . 13.0 t -157.11 161.19 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -123.48 121.8 36.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.034 ' HA3' HG23 ' A' ' 32' ' ' VAL . . . -114.63 -165.87 15.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -128.35 143.96 51.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.19 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.1 tt -57.65 99.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.16 -6.21 6.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -67.72 121.3 15.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -134.76 -172.35 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 0.0 109.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.02 34.1 24.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD22 ' CA ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER 60.95 63.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 32' ' ' VAL . 29.7 t0 -101.66 -56.58 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.034 HG23 ' HA3' ' A' ' 23' ' ' GLY . 1.5 p -31.44 -50.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.883 HG13 ' HB3' ' A' ' 38' ' ' LEU . 2.6 t -67.48 -70.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 43' ' ' PHE . 24.1 t -38.95 -52.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.7 mt-30 -37.84 -41.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -99.48 -23.47 15.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.2 t30 83.24 36.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.107 HD21 ' CD2' ' A' ' 11' ' ' PHE . 4.7 tt -46.51 170.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 38' ' ' LEU . 1.5 t70 -122.33 61.34 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.8 HG23 ' HA ' ' A' ' 43' ' ' PHE . 10.6 tt -93.28 63.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ILE . 34.7 t70 38.08 66.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.357 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 64.09 62.82 4.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.8 ' HA ' HG23 ' A' ' 40' ' ' ILE . 17.2 p90 -28.37 134.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.783 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.732 ' O ' ' O ' ' A' ' 46' ' ' CYS . . . 53.05 66.34 2.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB3' ' SG ' ' A' ' 52' ' ' CYS 0.39 . . -58.46 -165.81 0.0 OUTLIER 'General case' 1 CA--C 1.648 4.726 1 N-CA-C 74.847 -13.39 . . . . 0.0 74.847 179.871 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.732 ' O ' ' O ' ' A' ' 44' ' ' GLY 0.418 8.1 p -9.49 172.59 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.233 2 N-CA-C 66.368 -16.531 . . . . 0.0 66.368 -143.382 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' C ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -51.89 9.05 0.0 OUTLIER 'General case' 1 C--N 1.022 -13.671 3 C-N-CA 171.721 20.008 . . . . 0.0 110.195 134.406 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.582 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 98.99 111.99 3.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.55 ' CB ' HD22 ' A' ' 50' ' ' LEU . 17.1 m -152.91 -50.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.739 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -175.26 -70.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.608 ' H ' HD23 ' A' ' 50' ' ' LEU . . . -71.92 -106.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 32.06 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.264 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.856 ' OG ' ' HB3' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -80.2 63.85 4.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 53' ' ' SER . 1.7 p -158.97 43.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.484 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 92' ' ' CYS . 0.1 OUTLIER -126.25 -79.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 108.245 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.652 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -88.95 -76.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER 80.08 -179.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.706 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.1 mt -45.32 120.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -83.58 171.68 13.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -73.25 3.71 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.7 tt0 84.18 -51.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 11.9 t-160 -65.03 -2.96 3.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.559 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.742 HG21 ' CE1' ' A' ' 59' ' ' PHE . 10.2 mm -101.16 -47.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.918 ' CD1' HD21 ' A' ' 67' ' ' LEU . 35.4 t80 -95.82 -52.3 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.64 -25.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -81.15 47.27 1.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 64' ' ' PHE . 1.0 OUTLIER -166.63 107.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.65 65.77 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' H ' HD12 ' A' ' 67' ' ' LEU . . . -163.1 128.58 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.396 1.06 . . . . 0.0 109.271 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' OG1' ' A' ' 71' ' ' THR . 8.5 tt -173.73 130.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' GLU . 5.6 m -157.09 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 71' ' ' THR . 1.0 OUTLIER -38.86 -31.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' THR . 0.4 OUTLIER -75.37 -64.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER -48.57 -53.65 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 77' ' ' MET . 5.2 m120 -38.16 -61.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 73' ' ' GLU . 16.4 m-20 44.86 -94.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.58 ' CG ' ' HA ' ' A' ' 50' ' ' LEU . 2.3 mpp? -64.25 -62.08 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.03 HD22 HD11 ' A' ' 84' ' ' LEU . 4.7 mt -39.67 -56.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.23 -88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -143.87 44.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 110' ' ' ALA . . . -57.93 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.175 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 49.2 t80 37.79 93.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 41.84 76.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.03 HD11 HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -37.94 126.22 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.349 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 p -105.87 166.5 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.49 4.35 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 59' ' ' PHE . 3.2 ptt180 -128.15 51.73 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -156.49 133.73 10.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.869 ' HA ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.33 93.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.56 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.02 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.601 1.188 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.493 ' HA2' ' HE3' ' A' ' 77' ' ' MET . . . 30.79 72.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.496 ' SG ' ' HA2' ' A' ' 48' ' ' GLY . 15.1 p -81.45 66.26 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -162.77 32.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.92 148.65 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.23 153.71 21.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -55.27 171.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 98' ' ' LYS . 28.4 m -148.19 174.31 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' H ' HG22 ' A' ' 97' ' ' THR . . . -79.69 -38.56 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.413 ' O ' HD11 ' A' ' 63' ' ' ILE . . . -61.24 -33.33 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.415 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 47.5 mtt -76.45 3.16 11.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 46.3 t0 -61.76 104.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 7.9 t-20 90.54 33.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.869 ' HG2' HG22 ' A' ' 9' ' ' VAL . 4.4 ptt? -76.54 127.73 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.515 ' CG2' HD11 ' A' ' 12' ' ' ILE . 89.0 m -97.35 93.54 6.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.243 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.706 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 15.7 m -87.41 133.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -127.66 110.97 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 57' ' ' LEU . 4.5 t -55.16 108.73 1.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.661 1.225 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.566 1.824 . . . . 0.0 111.033 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' ALA . 0.3 OUTLIER 173.26 43.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.856 ' HB3' ' OG ' ' A' ' 53' ' ' SER . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.725 ' S1 ' ' C ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.1 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -129.45 162.83 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' A' ' 96' ' ' LEU . 3.4 pt -128.98 169.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' VAL . 58.1 m -113.12 168.04 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.695 HG22 ' HG2' ' A' ' 103' ' ' MET . 2.3 t -160.88 153.13 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' VAL . 10.9 m-70 -126.51 114.85 18.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.358 1.036 . . . . 0.0 109.605 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 69.0 m-85 -102.5 127.06 49.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.973 HD12 ' HB2' ' A' ' 106' ' ' ARG . 23.5 mt -95.26 129.05 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -83.46 -169.08 2.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -86.11 45.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -164.28 -39.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.81 17.4 3.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.1 mm-40 -87.25 71.67 10.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLU . 1.4 m -36.23 118.75 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 38' ' ' LEU . 2.7 mm? -82.37 -46.4 13.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 45.3 m 65.39 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -171.22 152.81 3.48 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.82 148.56 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -133.42 170.25 22.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -117.28 133.97 55.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 0.771 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 5' ' ' ASP . 4.5 tt -60.68 110.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.384 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 11.57 20.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.44 172.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 0.815 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.3 p -179.91 163.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' LEU . 4.5 mm? 60.56 44.13 12.05 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 109.218 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 47' ' ' GLU . 2.6 mp 39.32 76.37 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.567 1.167 . . . . 0.0 109.218 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.616 ' O ' ' C ' ' A' ' 32' ' ' VAL . 21.2 t0 -98.62 -60.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 31' ' ' ASP . 69.4 t -21.71 -65.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.85 HG13 ' H ' ' A' ' 34' ' ' VAL . 1.8 p -42.65 -72.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.85 ' H ' HG13 ' A' ' 33' ' ' VAL . 45.3 t -53.17 -43.84 50.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.625 1.203 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -30.0 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 6.8 t30 -116.8 -16.53 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 27.2 t30 82.0 30.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -46.51 171.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.47 -57.24 4.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 41' ' ' ASP . 40.2 mm 52.43 -108.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.636 ' N ' HG22 ' A' ' 40' ' ' ILE . 8.7 t70 178.11 174.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.43 53.91 1.54 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 41' ' ' ASP . 15.8 m-30 -107.47 -168.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.603 0.825 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.848 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . 68.15 47.49 58.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.848 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.33 . . -92.06 -168.88 2.1 Favored 'General case' 1 CA--C 1.664 5.329 1 N-CA-C 70.023 -15.177 . . . . 0.0 70.023 179.971 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 3.24 172.55 0.0 OUTLIER 'General case' 2 C--N 1.036 -13.055 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -141.283 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.4 mt-10 -42.71 -26.11 0.11 Allowed 'General case' 1 C--N 1.021 -13.708 3 C-N-CA 171.63 19.972 . . . . 0.0 110.305 133.868 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 92' ' ' CYS . . . 138.46 2.3 2.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.458 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 18.8 m -36.11 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 0.74 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.74 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER 84.56 122.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 50' ' ' LEU . . . 87.93 36.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -68.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.579 1.174 . . . . 0.0 108.382 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -115.67 -169.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.994 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 43' ' ' PHE . 53.0 p -64.49 -115.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' THR . 7.1 m 83.69 42.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.511 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 6.5 t-160 -118.34 119.03 33.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.539 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mp -142.08 157.81 44.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.733 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 0.1 OUTLIER -71.43 150.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CE2' ' SD ' ' A' ' 103' ' ' MET . 10.5 m-85 -140.3 137.54 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 44.6 mt-10 -42.26 123.99 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.8 tt0 -55.0 -33.16 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 57.6 t-80 -88.83 22.7 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.806 HG23 ' HB1' ' A' ' 99' ' ' ALA . 27.9 mm -127.73 -52.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -90.51 -58.31 2.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -41.35 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.374 1.046 . . . . 0.0 110.273 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.769 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -77.0 42.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -150.66 157.77 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -116.08 75.85 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.65 130.37 4.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.395 1.059 . . . . 0.0 109.201 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.763 ' CG1' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tt -173.45 -175.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 72' ' ' ASP . 30.8 m -122.07 -172.33 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.84 ' H ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -14.39 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -150.45 48.25 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.763 ' HA ' ' CG1' ' A' ' 70' ' ' ILE . 1.1 pt-20 91.84 30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.635 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 17.8 t-20 -82.56 -94.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.587 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.4 OUTLIER 36.39 32.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.237 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.587 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 6.6 tpt 88.19 42.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' C ' ' A' ' 89' ' ' ARG . 1.1 mm? -127.71 -51.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER 61.7 135.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.611 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.31 57.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 79' ' ' ASP . . . -77.88 126.46 30.87 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 11.7 m-85 -37.47 101.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 164.25 -42.15 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.588 1.18 . . . . 0.0 110.963 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' A' ' 80' ' ' LEU . 2.5 mp -39.48 111.95 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' ARG . 87.0 m -120.71 -113.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 110.366 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.601 ' N ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -38.92 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 88' ' ' SER . 0.2 OUTLIER 172.55 -52.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.733 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER 56.32 145.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.834 ' C ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -163.39 -155.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.064 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 92' ' ' CYS . 0.8 OUTLIER -97.36 144.13 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.61 58.43 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.444 1.09 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.944 ' O ' HG23 ' A' ' 94' ' ' ILE . 30.9 m -144.0 161.77 37.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.541 HE22 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 36.73 32.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.218 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.944 HG23 ' O ' ' A' ' 92' ' ' CYS . 1.1 pt -129.43 86.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 19.5 m -50.62 162.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 108.359 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 7' ' ' ILE . 12.1 mt -68.28 167.54 14.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 98' ' ' LYS . 51.1 m -158.14 174.12 15.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.495 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.516 ' H ' HG22 ' A' ' 97' ' ' THR . . . -71.67 -20.78 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.806 ' HB1' HG23 ' A' ' 63' ' ' ILE . . . -69.25 -46.3 67.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 103' ' ' MET . 4.1 mtt -78.76 3.9 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 45.3 t0 -59.4 95.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 10.4 t30 75.54 49.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.695 ' HG2' HG22 ' A' ' 9' ' ' VAL . 9.7 ptt? -98.7 145.35 26.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.556 HG22 HD11 ' A' ' 12' ' ' ILE . 61.3 m -96.33 97.35 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 11' ' ' PHE . 24.2 m -94.48 135.76 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.973 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.8 tmt_? -136.4 144.93 44.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 p -116.8 130.11 24.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -88.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.597 1.841 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -161.45 147.66 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.396 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.613 ' S1 ' ' HA ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -120.66 161.97 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.842 HG12 HD13 ' A' ' 96' ' ' LEU . 2.8 pt -125.84 -161.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.416 1.073 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -145.7 156.69 43.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.634 HG22 ' SD ' ' A' ' 103' ' ' MET . 68.9 t -150.67 130.08 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 104' ' ' THR . 0.2 OUTLIER -103.83 108.85 20.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.911 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -86.99 77.15 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.328 1.017 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.787 HG23 ' CB ' ' A' ' 17' ' ' GLU . 29.0 mt -44.5 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 t-20 -63.01 -151.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HD3' ' CG1' ' A' ' 107' ' ' VAL . 45.6 mmm-85 -117.58 -33.72 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -73.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.66 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -111.6 -10.61 18.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' ' H ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 40.89 110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 0.0 110.374 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 18' ' ' THR . 1.2 m 152.42 26.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 110.386 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' HB2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -35.8 -60.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 13.0 m 65.26 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.382 1.051 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 32' ' ' VAL . 8.3 t -141.86 146.97 36.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -91.61 128.37 37.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA3' HD11 ' A' ' 96' ' ' LEU . . . -114.61 176.98 17.26 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.579 ' N ' HD12 ' A' ' 96' ' ' LEU . . . -122.89 142.4 50.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.398 0.705 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ILE . 14.1 tt -68.46 105.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 27' ' ' ASP . . . 129.29 -5.55 6.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -46.4 172.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.66 172.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER 41.09 54.01 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.5 mm? 58.62 114.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.4 t0 -147.98 -153.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.831 HG22 ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER 38.09 -89.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.911 HG21 ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -49.8 -46.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 30' ' ' LEU . 98.9 t -73.67 -59.13 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 32' ' ' VAL . 1.1 pt20 -46.13 -35.98 5.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.65 ' OD1' HD22 ' A' ' 38' ' ' LEU . 4.3 t-20 -78.71 -32.65 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.623 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.6 t30 94.12 10.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD22 ' OD1' ' A' ' 36' ' ' ASN . 0.3 OUTLIER -41.05 161.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.47 71.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.689 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.5 pp -67.25 90.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -88.41 89.84 8.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.13 -37.98 3.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.972 ' CD1' HD11 ' A' ' 57' ' ' LEU . 20.1 m-85 -47.88 109.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.628 ' HA3' HD11 ' A' ' 30' ' ' LEU . . . 62.95 153.25 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.316 . . 177.56 -169.6 0.08 Allowed 'General case' 1 CA--C 1.667 5.461 1 N-CA-C 68.975 -15.565 . . . . 0.0 68.975 -179.987 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.628 ' CB ' ' HB3' ' A' ' 51' ' ' ALA 0.419 8.1 p 6.22 172.53 0.0 OUTLIER 'General case' 2 C--N 1.028 -13.413 2 N-CA-C 66.39 -16.522 . . . . 0.0 66.39 -140.98 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.74 66.78 0.09 Allowed 'General case' 1 C--N 1.021 -13.714 3 C-N-CA 171.564 19.946 . . . . 0.0 110.328 133.808 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' CD2' ' A' ' 50' ' ' LEU . . . 124.02 162.02 11.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 1.255 ' HA ' ' S1 ' ' A' ' 146' ' ' FES . 4.6 t -83.95 121.12 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER 171.14 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.383 1.052 . . . . 0.0 109.246 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -86.25 -97.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.556 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.8 p -29.79 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 108.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . 34.3 p 42.04 66.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -166.19 -93.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' THR . 4.4 p 38.12 31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 7.3 p80 -75.65 -172.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.688 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER 163.96 166.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.218 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -92.06 107.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.231 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.737 ' HE1' HD13 ' A' ' 63' ' ' ILE . 1.1 t80 -110.09 143.7 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.985 ' HB3' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -42.08 118.92 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -51.84 -19.96 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 9.0 t60 -79.87 4.49 16.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.985 HD12 ' HB3' ' A' ' 60' ' ' GLU . 4.4 mt -126.97 -50.42 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.65 ' CG ' ' HB3' ' A' ' 59' ' ' PHE . 2.3 m-30 -80.15 -59.68 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -45.86 -24.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -60.95 -22.18 64.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 1.6 mm? -49.74 159.37 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -85.04 65.78 9.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . 70.03 173.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.496 HD11 ' CD2' ' A' ' 78' ' ' LEU . 14.7 tt -143.09 113.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 m -119.36 175.18 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -50.81 -23.48 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -39.65 16.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . 1.3 tm-20 -73.76 -38.47 64.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.63 1.206 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.814 ' HA ' HD22 ' A' ' 78' ' ' LEU . 29.0 p30 -89.57 25.34 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.629 ' O ' ' CB ' ' A' ' 77' ' ' MET . 11.8 t70 -69.91 112.88 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.629 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 1.1 tpt 91.09 7.97 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.411 1.069 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.814 HD22 ' HA ' ' A' ' 75' ' ' ASN . 10.1 mp -81.61 -101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.669 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER 72.46 2.91 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -14.06 -56.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . 87.8 144.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 81' ' ' ALA . 37.7 t80 47.83 176.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' N ' ' CD2' ' A' ' 82' ' ' TYR . . . 37.92 32.6 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -70.69 60.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.244 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 86' ' ' ASP . 1.9 m -92.88 -171.57 2.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 85' ' ' THR . 1.6 m-20 -90.62 14.44 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -135.47 46.9 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 7.0 t -163.12 143.44 9.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.618 ' HG3' ' CE2' ' A' ' 64' ' ' PHE . 0.3 OUTLIER 174.81 140.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.8 tt -37.31 141.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.16 121.11 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -45.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.867 ' CD ' HG22 ' A' ' 49' ' ' THR . 67.8 mt-30 -83.43 -18.47 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.665 ' O ' HG23 ' A' ' 94' ' ' ILE . 1.1 tp -63.33 95.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.3 p -44.8 165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 108.255 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 7' ' ' ILE . 8.0 mt -67.76 169.05 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 98' ' ' LYS . 5.3 m -157.86 177.41 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.527 ' H ' HG22 ' A' ' 97' ' ' THR . . . -74.9 -54.59 6.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 63' ' ' ILE . . . -55.31 -22.98 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.501 ' HB3' ' SD ' ' A' ' 103' ' ' MET . 33.3 mtt -85.67 -1.84 57.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.9 t0 -69.49 112.32 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 3.6 m120 83.5 19.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.667 ' HG3' HG13 ' A' ' 105' ' ' VAL . 2.6 ptt? -63.26 106.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 10' ' ' HIS . 37.9 m -78.15 83.24 4.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 103' ' ' MET . 8.1 m -74.81 130.45 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.727 ' C ' HD23 ' A' ' 57' ' ' LEU . 16.7 ttt180 -129.72 131.88 46.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' CG2' ' HD2' ' A' ' 108' ' ' PRO . 8.7 p -71.75 139.54 83.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.43 ' HD2' ' CG2' ' A' ' 107' ' ' VAL . 18.4 Cg_endo -74.97 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.634 1.86 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 t70 179.16 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.384 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 1.255 ' S1 ' ' HA ' ' A' ' 49' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 5' ' ' ASP . . . 48.89 176.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 96' ' ' LEU . 41.7 pt -142.4 -170.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' ASN . 2.7 m -141.71 149.77 40.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' A' ' 103' ' ' MET . 61.7 t -142.88 144.96 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 103' ' ' MET . 26.1 m170 -114.61 119.03 35.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CB ' HD11 ' A' ' 38' ' ' LEU . 22.7 m-85 -101.72 104.8 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.898 HD12 ' HB2' ' A' ' 106' ' ' ARG . 33.1 mt -72.42 121.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -81.91 -170.56 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -86.59 42.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.206 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.43 -39.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.28 16.47 3.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' THR . 1.8 mt-10 -87.59 67.98 9.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 0.759 . . . . 0.0 110.21 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.525 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 0.9 OUTLIER -36.85 106.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CB ' HD21 ' A' ' 38' ' ' LEU . 2.5 mm? -61.43 -49.16 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.448 1.093 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.525 ' OG1' ' CG2' ' A' ' 18' ' ' THR . 15.5 m 65.58 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.781 ' CG2' HG12 ' A' ' 32' ' ' VAL . 6.5 t -146.83 149.48 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.366 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -81.14 152.62 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -136.59 157.18 23.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -117.22 147.83 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 25' ' ' ILE . 18.9 tt -67.96 114.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.37 -23.51 10.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' CG ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -62.04 154.03 27.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.389 0.699 . . . . 0.0 109.404 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.4 p -155.01 -151.95 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.791 HD12 ' N ' ' A' ' 30' ' ' LEU . 3.4 pp 35.43 -151.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -87.14 46.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CG ' ' N ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -76.73 -54.56 6.47 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.781 HG12 ' CG2' ' A' ' 21' ' ' THR . 14.4 t -63.89 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' ASN . 76.5 t -56.59 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 35' ' ' GLN . 65.9 t -58.59 -43.43 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 34' ' ' VAL . 1.5 mm-40 -28.24 -45.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 2.5 t-20 -120.22 -12.06 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.6 t-20 86.11 32.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.351 1.032 . . . . 0.0 109.375 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -36.9 127.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' ILE . 38.1 t0 -82.91 53.7 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.19 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 43' ' ' PHE . 2.7 pt -52.57 -104.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 14' ' ' ARG . 11.7 t70 176.28 116.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.29 -40.79 3.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' HA ' HD11 ' A' ' 40' ' ' ILE . 35.6 m-85 61.07 128.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.812 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.805 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -33.09 134.07 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.805 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.321 . . -98.56 -169.23 1.76 Allowed 'General case' 1 CA--C 1.666 5.434 1 N-CA-C 69.511 -15.366 . . . . 0.0 69.511 -179.996 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.419 8.0 p 4.8 172.62 0.0 OUTLIER 'General case' 2 C--N 1.032 -13.232 2 N-CA-C 66.404 -16.517 . . . . 0.0 66.404 -141.224 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HA ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -56.96 10.01 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.692 3 C-N-CA 171.662 19.985 . . . . 0.0 110.294 134.198 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' CA ' ' HB2' ' A' ' 92' ' ' CYS . . . 97.61 108.28 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 50' ' ' LEU . 32.2 m -157.61 -42.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 0.73 . . . . 0.0 110.45 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.879 ' O ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -131.94 -108.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' HB3' ' A' ' 77' ' ' MET . . . -145.84 25.07 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.569 1.168 . . . . 0.0 109.22 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 51' ' ' ALA . 11.6 m -16.99 -64.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.432 1.082 . . . . 0.0 108.248 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 157.24 -51.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.06 57.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.456 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -150.97 -53.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 108.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.888 ' CD2' ' HB1' ' A' ' 81' ' ' ALA . 11.9 p-80 -42.67 156.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -165.1 172.83 12.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 1.2 mp -95.52 107.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HD1' HG12 ' A' ' 105' ' ' VAL . 2.9 m-85 -116.29 135.52 53.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.642 1.214 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -31.62 142.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -82.43 11.08 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -123.62 6.8 8.85 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.497 1.123 . . . . 0.0 109.526 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 99' ' ' ALA . 10.2 mm -124.78 -44.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.363 1.039 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 59' ' ' PHE . 1.1 m-85 -98.81 -54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 61' ' ' GLN . 5.0 tp10 -41.24 -26.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -85.09 46.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.6 mt -156.16 65.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.95 89.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 89' ' ' ARG . . . -155.57 96.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.37 116.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.652 1.22 . . . . 0.0 109.301 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 m -119.35 170.07 9.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.3 t70 -44.59 -42.0 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -64.8 -37.14 86.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.1 OUTLIER -76.72 -43.87 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' ASP . 18.1 p30 -91.85 17.33 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ASP . 3.7 t0 -71.56 -46.59 59.0 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.886 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 10.0 tpt -87.22 -10.96 51.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.805 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 1.5 tp -110.23 -70.82 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER 83.33 -70.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -125.16 -26.68 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.597 1.185 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.888 ' HB1' ' CD2' ' A' ' 56' ' ' HIS . . . 62.73 58.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 109' ' ' ASP . 0.7 OUTLIER 31.29 82.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.912 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.54 72.43 1.16 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 80' ' ' LEU . 16.7 tp -78.13 84.34 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 0.717 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.75 HG22 ' H ' ' A' ' 86' ' ' ASP . 7.7 m -83.74 -171.51 3.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.6 1.187 . . . . 0.0 110.413 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.75 ' H ' HG22 ' A' ' 85' ' ' THR . 62.9 m-20 -91.64 -6.51 52.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 59' ' ' PHE . 1.7 ptt180 -127.54 62.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -152.61 172.41 16.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 178.48 -147.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 50' ' ' LEU . 33.8 tp -117.59 157.4 26.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.13 64.95 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.494 ' HB2' ' CA ' ' A' ' 48' ' ' GLY . 24.2 p -176.47 34.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 92' ' ' CYS . 15.5 mm100 -149.53 -51.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -93.61 115.55 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.377 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.26 171.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 108.259 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 7' ' ' ILE . 9.4 mt -62.9 171.78 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.609 ' O ' HD13 ' A' ' 7' ' ' ILE . 4.2 m -155.86 169.87 23.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -72.95 -38.05 66.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.236 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.951 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -60.23 -28.31 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mtt -76.09 -8.74 57.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 5.5 p-10 -57.94 118.31 5.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 m-20 84.23 18.27 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.277 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.984 ' HB3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -48.23 162.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.671 1.232 . . . . 0.0 111.104 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.662 HG22 HD11 ' A' ' 12' ' ' ILE . 55.2 m -138.41 58.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.691 HG12 ' HD1' ' A' ' 59' ' ' PHE . 4.2 m -59.46 128.98 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.898 ' HB2' HD12 ' A' ' 12' ' ' ILE . 1.6 ttp85 -125.64 127.83 46.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 110.246 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 79.8 t -67.62 131.06 92.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 107' ' ' VAL . 18.3 Cg_endo -74.97 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.388 1.73 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.543 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 167.89 162.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.8 ' S1 ' ' C ' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -43.93 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 96' ' ' LEU . 1.2 pp -131.95 174.11 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -117.22 156.47 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG22 ' HG2' ' A' ' 103' ' ' MET . 41.4 t -147.77 133.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 105' ' ' VAL . 17.7 m170 -100.88 107.85 19.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.54 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.981 ' CZ ' HD12 ' A' ' 40' ' ' ILE . 37.7 t80 -94.33 85.42 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.565 HG23 ' HA2' ' A' ' 16' ' ' GLY . 22.2 mt -56.18 113.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' OD1' HD21 ' A' ' 19' ' ' LEU . 2.8 t30 -65.53 -167.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.208 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 40.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -160.55 -41.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.573 1.17 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.565 ' HA2' HG23 ' A' ' 12' ' ' ILE . . . 133.21 -5.1 4.96 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.4 mt-10 -62.29 76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 0.826 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' GLY . 1.2 m -37.36 98.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 17' ' ' GLU . 1.8 mm? -59.22 -50.23 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.346 1.029 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 2.4 m 65.05 139.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.465 1.103 . . . . 0.0 110.484 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 t -165.87 158.23 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -116.88 126.42 52.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.811 ' CA ' HG23 ' A' ' 32' ' ' VAL . . . -120.56 174.6 15.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.599 1.187 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -105.55 151.48 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.3 tt -62.07 111.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.236 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.13 19.58 10.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.075 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.01 117.95 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.62 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.69 -169.16 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 28' ' ' SER . 5.8 mp 59.95 41.89 16.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.163 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.667 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.2 mm? 66.08 65.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 3.0 t0 -115.13 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.811 HG23 ' CA ' ' A' ' 23' ' ' GLY . 9.8 p -43.18 -52.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.943 HG21 HD13 ' A' ' 40' ' ' ILE . 15.9 t -52.48 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 35' ' ' GLN . 82.3 t -46.96 -49.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -33.2 -42.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 49.2 t30 -104.64 -27.16 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 15.3 t30 94.43 23.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -39.37 157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 40' ' ' ILE . 26.2 t0 -54.08 -49.29 69.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.981 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 2.5 tp 35.61 60.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.82 93.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.639 1.212 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 110.31 24.27 5.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 40' ' ' ILE . 5.0 p90 -35.33 148.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.734 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -39.0 132.8 1.75 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.305 . . -94.38 -170.31 2.24 Favored 'General case' 1 CA--C 1.669 5.539 1 N-CA-C 68.225 -15.843 . . . . 0.0 68.225 -179.982 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.643 ' O ' ' C ' ' A' ' 44' ' ' GLY 0.421 8.0 p 9.19 172.61 0.0 OUTLIER 'General case' 2 C--N 1.02 -13.734 2 N-CA-C 66.427 -16.509 . . . . 0.0 66.427 -140.916 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' C ' HD23 ' A' ' 30' ' ' LEU . 39.1 mt-10 -64.56 23.56 0.01 OUTLIER 'General case' 1 C--N 1.021 -13.694 3 C-N-CA 171.697 19.999 . . . . 0.0 110.29 134.33 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.543 ' O ' HD23 ' A' ' 29' ' ' LEU . . . 86.78 100.37 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 49' ' ' THR . 1.2 m -170.65 14.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 13.3 mt 53.37 110.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 50' ' ' LEU . . . 162.72 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.245 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.742 ' O ' ' HE2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -107.27 -172.64 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.233 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.1 t -150.56 20.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.0 p -90.16 -17.45 27.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 0.0 110.468 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.15 -2.26 47.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -43.02 121.39 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.637 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 11' ' ' PHE . 12.7 mt -145.43 165.6 28.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 106' ' ' ARG . 1.3 mp -109.0 120.87 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.54 ' N ' ' O ' ' A' ' 87' ' ' ARG . 10.5 m-85 -113.97 120.44 40.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.647 ' CB ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -34.2 124.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.224 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' GLU . 22.6 pt20 -49.63 -33.62 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -60.85 -12.66 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.678 1.236 . . . . 0.0 109.613 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.647 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.1 mt -107.57 -38.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 63.1 t80 -87.41 -58.32 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.16 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.0 pt-20 -35.84 -31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.394 1.059 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -84.88 43.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.796 HD11 ' HD2' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -177.0 78.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.16 68.68 9.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.48 79.88 1.45 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' C ' ' OG1' ' A' ' 71' ' ' THR . 6.3 tt -158.18 146.14 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.649 1.218 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.467 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 1.2 m -156.23 177.63 11.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -22.5 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.08 -48.61 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 71' ' ' THR . 1.9 tp10 -46.98 -38.45 10.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 76' ' ' ASP . 2.3 p30 -37.85 -43.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.294 0.996 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 77' ' ' MET . 97.4 m-20 45.38 98.74 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.742 ' HE2' ' O ' ' A' ' 52' ' ' CYS . 1.4 tmm? 82.71 -50.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.446 1.091 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -38.31 -91.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 -61.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -137.27 -31.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 84' ' ' LEU . . . 39.75 68.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.4 t80 35.25 68.65 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.37 61.63 7.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.143 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 HD13 HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -53.69 135.09 41.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.82 -164.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.09 -4.18 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' PHE . 2.2 ptt180 -126.5 59.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 t -155.49 151.42 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.052 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.796 ' HD2' HD11 ' A' ' 67' ' ' LEU . 12.7 ttt85 -137.88 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 91' ' ' GLY . 1.3 tm? 66.16 -68.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 90' ' ' LEU . . . 139.38 164.7 9.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' ILE . 12.1 p 44.12 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 19.0 mt-30 66.36 -63.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -43.92 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.4 m -65.53 162.63 17.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 97' ' ' THR . 1.9 mt -68.16 149.64 49.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 96' ' ' LEU . 17.0 p -158.54 173.76 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -67.32 -39.4 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.21 76.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.4 mtt -88.56 3.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 23.4 t70 -62.45 102.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.8 m-20 85.33 25.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.833 ' HG2' HG22 ' A' ' 9' ' ' VAL . 17.0 ptm -69.31 136.1 51.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.537 ' CG2' HD11 ' A' ' 12' ' ' ILE . 26.8 m -95.04 89.69 5.67 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.118 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.685 HG13 ' HG3' ' A' ' 103' ' ' MET . 10.1 m -82.79 120.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.888 ' O ' HD12 ' A' ' 58' ' ' ILE . 14.2 ttt180 -128.97 137.06 51.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 28.8 m -65.22 144.07 98.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 Cg_endo -74.89 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -162.89 134.93 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.347 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_