data_2lop_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 2lop _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.7 -50.65 32.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -33.99 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.62 -29.64 66.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.06 -61.91 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.12 -39.51 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -59.35 -53.1 62.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.57 -53.95 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.45 -69.04 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 p -41.25 -54.33 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 15.1 mm -48.44 -48.75 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.3 -36.2 70.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.05 -19.78 74.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' ILE . 46.1 m-85 38.72 91.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.58 53.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 -56.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.48 172.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.19 65.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.94 -42.5 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 41.0 t 50.41 64.5 8.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.02 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.441 1.758 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t 176.06 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -41.89 -47.1 4.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 tp -50.37 -52.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.7 66.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.98 -29.65 66.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -44.01 56.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.57 -52.37 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.36 -59.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.62 -39.82 46.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.68 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 mt -41.48 -40.46 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.74 -67.62 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -38.08 -58.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.24 -51.89 29.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.01 -32.2 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -77.15 -29.97 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.98 89.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.7 t 66.95 78.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -123.92 -48.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.73 -50.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -45.55 -45.0 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 m -42.02 -57.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 m -47.94 -45.82 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -41.93 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.72 -22.77 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 m -73.31 -48.29 35.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.27 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.51 -47.07 87.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.35 -59.44 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.29 -50.31 59.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -55.11 -31.51 61.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.93 -29.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -53.9 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.47 -50.3 62.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.63 -50.07 3.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -50.72 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.35 -34.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.78 68.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.27 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 1.8 tm? -56.04 -45.48 79.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -54.47 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -39.17 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -54.55 41.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -53.64 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mt -51.89 -52.84 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -29.95 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -74.75 -32.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -36.41 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.6 t -88.13 -38.54 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tt -48.79 -43.38 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.83 -51.25 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.33 -57.14 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.68 -50.28 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.56 69.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.57 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -51.69 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.61 -59.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 17' ' ' ILE . 3.4 m -44.2 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.85 -49.05 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -54.11 -79.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -38.92 -48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.431 ' HA ' ' CA ' ' A' ' 21' ' ' LYS . 39.6 mt -48.04 -55.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.63 -29.96 66.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 -26.91 68.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 21' ' ' LYS . 34.6 p90 177.87 -49.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' N ' ' CD2' ' A' ' 20' ' ' TYR . 9.8 tptt 178.01 -151.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -118.93 -45.14 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 -46.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.3 -149.74 9.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.7 133.05 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.45 147.71 2.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.72 5.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.571 1.827 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t 74.73 -66.7 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.87 -49.02 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -49.63 -51.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.22 67.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.04 -29.87 70.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.82 -44.78 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.69 -49.03 78.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 36' ' ' GLY . 4.3 p -63.25 -45.26 98.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' HG11 ' A' ' 35' ' ' VAL . . . -57.43 -39.57 90.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.8 t -70.65 -62.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -40.06 -48.0 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -57.76 -59.23 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -78.63 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -40.97 -57.04 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -52.55 -51.97 40.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -52.72 -29.73 28.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -29.73 25.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -71.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLY . 98.6 t -51.74 -33.97 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 103.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 178.6 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' VAL . 8.1 tptt -76.87 -54.34 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 7.6 p -40.45 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -48.47 -52.55 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.61 -34.93 67.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.13 -29.07 65.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 12.5 m -73.63 -47.04 43.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.04 82.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -64.86 -65.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -41.26 81.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.3 tp -55.31 -61.88 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.42 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.4 m -54.79 -33.02 60.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.73 -29.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -77.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.89 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.85 -53.38 3.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -48.48 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.8 -37.68 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.61 -29.84 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.95 -55.04 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -41.46 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -48.48 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -49.2 78.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -49.99 -60.73 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.05 -47.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -37.39 61.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 4.2 mtp85 -73.45 -29.95 62.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt -44.3 -62.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.18 -39.79 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' LEU . 1.2 tm? -40.68 -37.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.2 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -49.38 75.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -48.32 -49.58 33.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -36.34 69.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.59 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -57.25 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' SER . 17.9 m -60.2 -33.89 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.9 m -60.7 -55.25 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -59.61 -59.71 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.23 -67.42 2.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 14.6 t -41.3 -51.57 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 13' ' ' THR . 29.9 mt -48.58 -50.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.0 -33.51 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.71 74.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 38.73 92.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.75 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.37 15.49 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.38 165.65 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -98.51 164.49 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.4 -112.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -177.07 -59.52 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' GLY . 93.3 t -40.23 100.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.33 4.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.87 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.11 -48.9 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.6 mm -49.58 -51.63 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.63 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.05 -29.78 70.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.7 -46.13 39.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -39.38 94.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -68.52 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.07 -48.68 25.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 63.1 m -56.95 -60.65 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 44.2 tp -40.55 -42.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.12 -71.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.36 -72.44 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.32 -54.07 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.39 -55.17 13.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -29.87 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.21 -30.79 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -58.5 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLY . 57.1 t -70.99 -65.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 t 79.05 143.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 174.08 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.37 -44.54 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.5 t -42.23 -55.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -46.42 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.25 -39.59 72.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.24 -22.25 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -76.16 -41.57 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.38 -46.85 53.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.25 -50.19 74.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CE1' HD13 ' A' ' 66' ' ' ILE . 30.3 t80 -61.59 -58.99 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.31 -55.71 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.51 60.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -55.11 -30.64 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 62' ' ' PHE . 10.9 mm -77.83 -30.12 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -56.71 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.994 -0.426 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.8 -58.64 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -37.78 -50.84 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.12 -55.66 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.61 -39.83 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.16 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.4 -61.23 3.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.76 -45.67 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -61.3 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mp -43.72 -49.06 8.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmm -51.47 -59.4 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 mtt -46.81 -53.77 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.7 mt -48.91 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.72 -29.92 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -67.21 -39.83 86.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -46.56 8.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.55 -48.62 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -41.64 -34.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.39 -50.85 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.3 -46.34 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' CB ' HD12 ' A' ' 96' ' ' LEU . 3.5 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -48.91 -49.5 39.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 0.785 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -35.44 68.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -29.76 65.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.76 -55.19 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.07 -59.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 7.8 m -42.63 -51.84 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -54.04 -52.68 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.09 -69.86 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -41.0 -55.9 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -48.23 -48.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -37.6 70.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.26 -19.64 73.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 47.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.779 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.0 58.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.32 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.0 137.22 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.93 103.83 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -157.67 -89.41 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 p -39.41 99.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.4 Cg_endo -74.98 78.84 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -176.05 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.66 -56.27 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -47.89 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.6 73.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -46.73 67.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.83 -36.32 82.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.81 -65.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.22 -43.03 42.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.82 -65.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -39.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.63 -68.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.33 -70.22 1.06 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -42.97 -57.03 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.93 -53.27 23.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.71 49.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.36 -30.02 47.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -53.86 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.96 60.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -57.63 161.11 3.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -179.29 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 26.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.52 -45.87 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 p -42.27 -56.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -48.57 -45.27 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -41.42 73.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.09 -21.85 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -74.28 -52.91 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.461 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.85 69.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.9 -52.96 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 66' ' ' ILE . 12.2 t80 -63.2 -45.17 92.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -58.64 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.89 58.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -55.36 -31.51 61.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 62' ' ' PHE . 18.6 mt -76.08 -29.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -54.79 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' GLY . . . -70.4 -39.94 74.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ALA . . . -37.45 -49.05 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -56.55 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 0.776 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.91 -36.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -31.66 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.49 -53.2 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -50.1 -44.02 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -63.87 -56.06 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -44.63 -39.9 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -50.33 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.2 pp -52.06 -48.74 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -54.01 -34.1 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -75.87 -29.91 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.62 -51.4 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.26 -42.05 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.8 -35.63 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -40.86 2.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -47.16 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.38 -48.55 36.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 0.711 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.35 68.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -29.49 65.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.94 -56.17 10.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.97 -50.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.5 m -49.68 -60.85 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 1.7 t80 -50.91 -43.09 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.39 -76.01 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -51.35 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mm -50.03 -51.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -58.27 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' TYR . . . -81.54 -21.39 62.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 36.52 61.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 -62.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 85.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.83 168.56 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.16 -109.27 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 p -138.58 69.98 45.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.07 -176.16 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -59.76 -47.76 84.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tp -41.74 -53.86 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 17.9 mm -49.67 -48.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.6 -38.65 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.06 -29.6 68.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.68 -38.98 67.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.28 -58.1 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.27 -51.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.46 -58.42 11.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -50.63 -45.74 57.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -60.26 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.13 -69.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.27 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.9 t80 -38.67 -53.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.22 -60.72 4.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.16 -29.56 60.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -67.95 -34.23 76.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 10.7 mtm180 -45.93 -49.13 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER 164.41 -46.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.2 p -60.09 167.93 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.23 108.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.421 ' CG1' ' HG2' ' A' ' 90' ' ' MET . 10.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -65.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -41.64 -53.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -48.17 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.93 -36.39 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.97 -25.61 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.7 m -70.74 -49.79 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -36.03 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.68 -49.66 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.8 -42.88 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -59.89 4.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.0 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -55.4 -30.49 60.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.8 mm -78.13 -29.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -65.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.64 -54.9 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.36 -53.03 3.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 mt -48.38 -49.58 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 0.796 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.0 t -56.69 -38.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.79 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.14 -47.9 34.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.75 -45.58 91.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -55.37 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -50.47 -40.41 50.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -51.18 70.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.421 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 mtt -54.42 -56.24 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.1 mt -51.04 -54.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.61 -29.88 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.75 -32.46 65.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.75 87.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.91 -36.06 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -46.35 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -56.15 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -54.4 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -47.37 -50.18 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.1 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.86 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -45.82 48.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.22 -55.34 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -56.4 -50.33 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -45.78 -63.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -56.99 -61.56 7.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -38.68 -64.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.74 -45.45 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.3 t80 -51.06 -44.01 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -19.46 69.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.2 t80 50.73 102.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -142.89 65.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 72.48 95.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -60.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 -97.59 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.3 -131.79 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.2 91.81 43.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p 179.63 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.0 -50.65 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.33 -50.19 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.69 -35.06 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.66 -29.71 67.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -44.57 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.45 -44.27 91.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.69 -58.54 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.86 -42.49 38.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -40.61 -43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.04 -75.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.34 -71.64 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.52 -50.13 19.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.17 -39.84 57.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -73.76 -29.66 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -49.58 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 47' ' ' SER . 16.6 m -80.05 -51.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.43 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 39.32 79.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.0 -48.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -43.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 56' ' ' SER . 33.3 m -43.25 -54.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 7.9 t -49.42 -45.63 46.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -39.15 75.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -76.22 -19.65 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.2 m -77.47 -40.82 41.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.27 -39.38 48.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.48 -48.49 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -67.44 -49.01 65.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.37 -57.77 8.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.37 -50.31 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -55.25 -30.14 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mm -78.55 -29.97 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mmt -68.27 -35.53 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.87 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.56 -51.26 3.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -50.15 40.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.72 -35.77 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.52 -54.57 8.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.67 -41.29 77.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -59.88 -57.78 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 -44.08 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 tpp -57.21 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -56.2 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.63 -62.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.76 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -66.11 -43.33 87.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.42 -32.93 28.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.5 t -86.02 -44.47 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -47.43 -41.5 20.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -40.53 -56.43 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.29 -49.28 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.62 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.57 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.93 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.58 -48.27 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -51.64 -66.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -39.11 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.84 -72.86 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -41.2 -50.61 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.27 -51.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.57 -32.86 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.17 -19.94 76.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.9 t80 178.93 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.45 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 -61.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 179.99 119.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.89 136.2 4.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.96 -113.47 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 3.7 p -150.2 65.17 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.99 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -70.95 -52.41 20.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -41.51 -54.62 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.3 mp -48.38 -49.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.23 -40.64 64.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.69 72.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.175 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.09 -47.0 48.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.11 -56.06 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' CG2' ' HB ' ' A' ' 59' ' ' THR . 11.1 p -56.91 -54.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.97 -33.03 35.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.9 t -66.68 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.2 tp -40.28 -44.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.54 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -52.81 -68.62 1.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -36.3 -56.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.741 . . . . 0.0 110.985 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.94 -53.95 20.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.59 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -78.52 -29.93 46.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -70.56 -32.67 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t 67.75 71.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -132.6 22.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.05 -175.17 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -87.44 -50.77 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' LYS . 50.1 t -39.78 -49.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.4 OUTLIER -48.66 -53.77 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.08 -33.64 65.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -32.22 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 16.5 p -78.57 -36.1 44.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 86' ' ' LEU . . . -68.2 -38.58 82.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -70.86 -55.62 8.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' THR . 7.3 tt -60.42 -56.37 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' MET . . . -47.09 -61.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -54.54 -29.18 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 64' ' ' ALA . 13.6 ptt? -90.08 -29.57 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 67' ' ' MET . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.952 -0.441 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.96 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.63 -52.59 3.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -50.12 -48.75 53.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -36.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.72 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.59 -50.64 14.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 1.9 mt -60.37 -41.45 93.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.17 -52.92 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.15 -46.49 89.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -56.55 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.2 mm -51.65 -53.38 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -29.97 59.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -31.89 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.89 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.1 t -46.65 -42.72 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.19 -38.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -45.65 -48.61 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -40.21 76.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -48.38 -49.84 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.74 69.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.77 66.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -59.01 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -54.01 -46.72 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' PHE . 27.5 m -54.5 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.1 t80 -37.32 -43.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -77.35 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.0 m -39.62 -50.5 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.75 -53.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.84 -30.52 67.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.05 -24.33 69.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -68.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 179.55 174.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.77 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.34 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.63 96.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.36 -72.15 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.91 106.25 36.86 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -178.15 -62.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 28' ' ' SER . 3.9 pp -42.1 -48.18 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 mm -49.55 -52.02 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.71 70.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -37.18 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.03 -42.04 81.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 p -69.87 -47.54 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.05 -50.19 68.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.74 -65.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.68 -41.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -67.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -71.07 0.82 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -61.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.62 -50.28 25.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.69 50.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -32.99 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p -98.47 44.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.66 -179.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -132.99 55.49 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -42.17 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -42.51 -52.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -48.86 -48.09 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -37.43 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 32.5 t80 -73.73 -22.32 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -76.46 -45.07 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.56 -48.33 64.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.84 -52.42 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 46.2 t80 -63.66 -37.63 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD2' HD21 ' A' ' 82' ' ' LEU . 10.1 tp -58.26 -71.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -45.83 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -50.57 -47.02 58.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 67' ' ' MET . 1.5 tt -67.14 -29.36 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.431 ' N ' HG23 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.59 -47.27 84.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.946 -0.444 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.86 -54.88 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -48.89 -50.2 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.04 -36.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.97 -29.76 69.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.05 -58.76 5.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.69 -42.07 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -60.68 -53.51 56.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.47 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -53.52 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -55.77 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.8 mm -50.73 -55.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -29.89 53.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -35.04 71.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -48.03 83.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.4 -46.67 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.69 -29.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 tt -41.09 -42.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -44.87 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -48.04 -48.37 33.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -55.63 -38.16 69.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.53 66.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -73.11 -64.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 16' ' ' SER . 7.0 p -52.7 -33.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 2.4 m -64.67 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.43 -65.75 3.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 47.7 t -38.85 -63.84 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 mm -46.11 -46.17 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.5 t80 -51.46 -44.29 62.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.84 -19.63 72.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 112.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -142.91 63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 63.62 113.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.59 165.58 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.06 153.5 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.54 31.39 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.75 83.76 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.44 3.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -168.48 -72.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.91 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 tt -50.37 -52.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' CG2' ' A' ' 35' ' ' VAL . . . -57.36 -32.17 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.89 -29.58 66.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -76.43 -38.37 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -54.35 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 31' ' ' ALA . 30.5 m -69.33 -35.19 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.51 -29.87 71.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 3.9 m -79.35 -41.18 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -60.09 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.43 -45.47 92.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.09 -79.67 0.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 11.7 t80 -42.83 -54.78 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.83 -51.5 44.72 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.03 -31.91 43.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -83.0 -28.76 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -59.24 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.33 -32.91 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.1 p -164.53 179.73 6.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 53.72 90.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 67.3 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -40.65 -52.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -51.0 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -37.81 68.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.83 -29.08 67.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 m -74.34 -45.09 49.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.78 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.96 -49.54 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 66' ' ' ILE . 6.9 t80 -59.25 -42.35 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -59.01 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.63 -55.42 13.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.74 -30.0 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.559 HD12 ' CD2' ' A' ' 62' ' ' PHE . 1.1 mt -72.86 -32.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 tpt -85.55 -68.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.03 4.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.68 -50.06 4.01 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.91 -50.46 46.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.45 -34.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.76 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.27 -50.64 8.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.56 -42.96 84.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -56.79 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tp -44.03 -44.78 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -56.34 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 ttm -50.46 -53.28 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mm -50.89 -55.83 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -53.89 -29.92 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.2 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.4 m -49.78 -39.18 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.04 -51.34 3.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 tp -40.53 -50.44 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -60.25 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.64 -49.97 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -57.1 -35.22 69.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.6 65.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -67.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -50.38 -44.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 12.1 m -53.78 -69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -45.17 -38.81 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.57 -80.93 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.13 -50.07 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mm -48.31 -53.1 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.91 -31.5 68.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.01 -23.05 72.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.34 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -173.19 -161.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -110.29 -48.41 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 163.62 108.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.7 -142.81 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.34 59.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 70.6 t 63.87 142.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.88 -61.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.9 -50.38 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -48.84 -51.17 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.62 -36.82 67.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.79 -29.78 72.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.97 13.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.97 -46.56 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 59' ' ' THR . 17.1 t -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -44.45 -42.21 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.14 -40.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.69 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.67 -67.05 2.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -37.27 -58.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.5 -51.01 45.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -30.56 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -84.06 -29.43 26.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -32.35 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.4 t 66.69 52.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 p -108.8 -43.27 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -86.09 -26.52 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.27 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -77.4 -36.19 53.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -42.03 -56.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -47.4 -46.46 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -42.55 73.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.28 -23.09 61.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.5 ' OG1' ' CG1' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -73.59 -51.68 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.94 -49.23 75.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -55.61 -51.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.99 -36.99 85.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.506 ' O ' ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.12 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.65 -44.31 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -48.91 -48.16 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 63' ' ' LEU . 1.3 tt -70.9 -28.44 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.444 ' N ' HG21 ' A' ' 66' ' ' ILE . 11.5 ttt -61.7 -47.21 86.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.33 -52.87 33.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.55 -50.48 3.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -49.94 -50.33 46.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.17 -34.15 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.26 -29.78 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.5 -46.04 34.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -44.54 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.08 -46.24 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -50.13 68.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.02 -54.99 35.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.59 -58.76 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -29.85 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.31 -38.67 81.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -51.95 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.26 -30.53 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -37.86 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.0 mt -41.45 -45.85 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -52.93 33.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -47.63 -50.92 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -35.69 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.83 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.41 -53.25 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.3 t -53.26 -51.76 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -52.69 -57.66 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -59.06 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.0 -66.04 3.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLY . 7.6 t -38.28 -64.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -45.4 -46.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.8 t80 -50.78 -45.42 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.27 -19.61 74.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.55 107.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -171.9 61.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -179.65 3.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.36 -56.89 0.51 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.26 88.71 1.23 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.65 94.62 33.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.05 150.98 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER 84.91 -65.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -42.1 -52.3 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pp -49.38 -49.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' CG2' ' A' ' 35' ' ' VAL . . . -54.47 -38.08 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.61 70.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -63.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.741 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.61 -46.6 67.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 31' ' ' ALA . 53.9 t -59.69 -70.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.99 -48.53 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -54.96 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 6.1 tp -40.49 -37.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.99 -66.64 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -43.26 -57.4 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.36 -52.25 28.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 -31.55 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.7 -29.89 51.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -66.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.07 -51.52 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t 53.24 102.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 178.71 55.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -40.26 -58.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 m -41.23 -59.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.63 -45.62 27.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -43.27 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.8 -24.58 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -72.92 -50.04 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.26 89.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' THR . 24.5 t80 -59.67 -56.94 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.87 -41.98 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 2.6 mm? -57.41 -76.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.21 -43.09 9.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.4 m -48.12 -49.29 32.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 63' ' ' LEU . 1.9 pt -70.8 -28.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -70.77 -55.91 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -70.31 -39.68 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' ALA . . . -35.12 -44.63 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.91 -60.71 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 32.6 m -60.12 -29.54 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -65.05 -32.76 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.75 -52.41 5.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.4 tp -49.55 -46.99 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -64.84 -59.26 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.26 -43.21 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.0 mtt -63.13 -56.39 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.0 ttm -50.55 -53.26 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -51.31 -54.68 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -29.91 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.65 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -39.7 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.42 -52.23 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -48.29 -33.44 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.98 -55.38 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -52.19 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -47.83 -49.7 28.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.88 68.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -41.72 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -51.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 20.3 p -54.39 -49.81 69.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -56.33 16.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 -68.14 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.14 -58.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 13' ' ' THR . 67.9 mt -48.37 -47.48 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.82 -38.57 67.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.78 -19.69 69.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.58 104.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -165.61 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.25 149.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.27 -58.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.73 -114.06 1.04 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' CG2' ' A' ' 26' ' ' VAL . . . 111.88 96.81 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 162.93 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -175.52 2.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -123.01 25.22 8.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.93 -52.03 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -48.27 -50.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -54.2 -39.39 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.91 73.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -56.66 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.68 -41.05 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 59' ' ' THR . 3.1 t -65.3 -67.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.23 -45.61 5.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.16 -66.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -37.63 -43.43 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.06 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.27 -72.21 0.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -39.72 -55.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.98 -54.72 17.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.61 -30.24 41.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -79.15 -31.13 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -69.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLY . 38.4 t -91.47 59.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.2 141.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.48 -46.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -35.63 60.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -41.83 -55.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -46.99 -47.77 21.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -42.22 73.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -71.77 -23.02 61.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.468 HG21 ' CG1' ' A' ' 35' ' ' VAL . 2.7 m -75.07 -47.57 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.64 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.77 -49.11 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.54 -54.13 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.81 -57.63 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.51 47.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.6 m -54.49 -32.53 58.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.1 mm -77.39 -29.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -70.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.04 -52.99 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.66 -49.5 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.7 -36.26 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.33 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.99 -62.54 3.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.32 -40.7 49.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -60.92 -64.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -40.15 -41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 mtt -63.43 -51.38 65.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -54.96 37.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.67 -58.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.61 -29.86 39.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -37.97 79.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -62.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.93 -43.77 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.09 -34.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -51.34 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -46.76 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -47.9 -49.83 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.54 70.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.6 67.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -46.18 56.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.81 -60.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -51.72 -50.76 59.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.67 -63.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -60.13 -61.83 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.39 -66.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -44.12 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.5 t80 -50.62 -43.22 56.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.76 -19.59 65.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.31 132.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.4 -176.58 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -73.76 -40.94 63.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 6.4 mtp180 159.75 -176.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.01 79.55 0.59 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.33 -63.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.62 93.53 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.65 10.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 m -99.19 -64.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.08 -50.25 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' A' ' 31' ' ' ALA . 2.7 pp -49.12 -50.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 30' ' ' ILE . . . -55.74 -36.59 67.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.14 -29.67 72.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.36 -40.63 50.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.73 -45.87 87.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.3 -49.67 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.75 64.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.157 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -67.91 -61.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.4 tp -39.76 -50.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -55.17 -64.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.61 -78.83 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -39.44 -59.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.51 -51.17 33.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.35 -32.46 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -78.77 -29.82 45.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -76.19 -46.7 27.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.0 p -80.84 -31.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.33 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.39 -43.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -48.35 -49.71 33.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.1 t -41.51 -58.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.71 -45.77 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -54.41 -42.73 70.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -72.24 -23.6 61.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -73.87 -61.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . . . -59.56 -40.46 87.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 79.6 t80 -60.2 -51.71 68.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.34 -34.85 79.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.29 -46.54 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -51.43 -41.79 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -71.76 -29.79 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -76.93 -60.9 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.444 1.09 . . . . 0.0 110.948 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.89 -57.28 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.85 -52.46 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tp -47.44 -50.88 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -56.77 -38.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.7 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.09 -52.4 14.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CB ' ' A' ' 60' ' ' ALA . 1.9 tm? -54.28 -45.06 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.54 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -46.26 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -60.36 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.92 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mm -52.23 -51.35 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.26 -30.22 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -33.64 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.97 -49.7 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.18 -39.97 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.06 -51.21 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -46.41 63.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -48.79 -48.95 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.42 68.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.68 65.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -59.34 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -54.78 -52.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -53.3 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -40.94 -37.72 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -65.33 -86.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 36.1 t -38.9 -49.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.802 . . . . 0.0 110.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.0 mm -48.49 -54.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.26 -30.08 66.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . -77.39 -24.38 65.81 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER 36.36 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -174.93 -173.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.44 51.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.58 -177.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.38 58.91 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.98 -54.93 3.49 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 155.58 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -136.64 15.33 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -53.02 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -47.94 -50.03 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -40.43 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 35' ' ' VAL . . . -66.91 -30.31 75.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -59.3 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -53.3 36.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 ' CG2' ' HA2' ' A' ' 32' ' ' GLY . 33.6 m -60.42 -35.89 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.18 -74.07 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 27.3 p -49.1 -29.18 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.9 -61.38 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.21 -51.5 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.33 -80.52 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 3.5 t80 -47.31 -55.58 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.08 -52.78 16.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.92 -37.0 63.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -75.47 -27.96 59.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.23 -53.4 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.82 -23.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -169.05 177.77 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.32 164.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -41.83 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 p -41.3 -53.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -47.49 -49.73 25.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.24 71.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -26.58 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -74.06 -48.84 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.93 98.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.62 -53.29 58.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.39 -46.11 87.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -50.07 -54.51 19.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 p -55.8 -29.9 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.432 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.21 -30.5 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ttt -86.96 -61.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.83 -49.3 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.33 -53.99 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.37 -49.57 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.4 t -55.88 -40.66 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -50.18 12.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mt -55.88 -39.46 71.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.11 19.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -41.43 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -44.19 89.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.3 mtt -56.49 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 tp -50.24 -47.33 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.64 -39.2 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -72.22 -29.82 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -44.89 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' LEU . 41.5 t -89.0 -45.05 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -40.34 -29.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -40.15 -35.37 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -54.09 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -47.75 -48.59 29.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -38.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.22 -29.59 67.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.08 -52.63 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.6 -59.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 41.7 m -42.16 -55.64 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -49.53 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -63.28 -73.6 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.69 -52.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -49.64 -52.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -31.59 62.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . -80.35 -24.84 58.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 49.24 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.1 102.27 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.62 82.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.18 -48.99 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.86 -118.46 0.76 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' VAL . . . 92.24 91.26 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 163.49 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.95 -170.75 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 -37.19 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.74 -51.53 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.7 mt -48.42 -50.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.13 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.61 -29.89 74.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -45.86 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.22 -51.62 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.01 -41.34 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.02 -47.57 72.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.5 m -61.37 -61.68 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . 7.4 tt -38.42 -45.55 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.31 -66.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.57 -75.46 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -38.79 -55.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -51.58 -54.1 26.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.46 -31.15 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -82.94 -33.2 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -74.88 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 74.6 t -68.9 91.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.9 m 77.92 173.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.81 156.68 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -43.51 64.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -42.74 -51.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -49.37 -47.82 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.14 -38.16 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -75.13 -21.65 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -76.44 -43.46 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -76.5 -32.82 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 9.6 t80 -66.7 -53.26 35.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.434 ' CD2' HD11 ' A' ' 66' ' ' ILE . 4.8 t80 -68.07 -50.37 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.31 -57.29 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.36 -51.26 56.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 m -55.5 -30.67 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' A' ' 62' ' ' PHE . 63.0 mt -76.72 -30.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -58.33 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.19 81.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.53 -51.42 3.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -50.3 33.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.57 -36.76 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.83 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.03 -49.49 16.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 87' ' ' SER . 1.1 tt -56.95 -46.86 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -60.0 -56.6 19.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -48.23 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.0 -45.79 92.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -60.94 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.34 -47.82 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -32.39 60.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -37.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -42.79 -47.68 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.22 -36.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.66 -51.32 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.07 -49.37 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.85 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -29.59 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -62.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -48.93 -43.44 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -60.76 -65.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.1 t80 -41.52 -38.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -67.44 -64.91 2.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.09 -61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' PHE . 2.2 pp -49.7 -45.41 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.426 ' N ' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -52.07 -40.01 60.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.39 -21.94 63.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -76.11 66.03 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.56 -62.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.23 107.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 103.12 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.45 -137.44 4.85 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 27' ' ' PRO . 7.7 p -54.67 141.1 56.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 86.71 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.03 -62.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.36 -50.18 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.31 66.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.71 -29.84 70.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -46.28 63.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 t -65.06 -74.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -38.11 -35.84 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' LEU . 11.0 m -63.1 -68.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -40.4 -36.55 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -67.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -68.17 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -41.92 -56.35 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.38 -54.18 17.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.84 -31.77 50.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -77.26 -30.57 54.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.02 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t 48.76 78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -140.13 -60.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -89.99 -58.01 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -45.36 -48.15 13.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -41.15 -57.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -46.82 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -42.71 68.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.36 -26.04 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -74.42 -40.94 61.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -70.6 -39.58 73.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.77 -53.47 53.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.58 -65.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.74 -55.44 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.9 -49.9 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -55.12 -30.12 59.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.2 mt -79.3 -29.9 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -60.04 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.69 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.31 -52.17 3.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -48.25 -50.41 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.84 -37.92 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.97 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.32 -55.82 8.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.51 -45.16 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -57.61 -56.07 26.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.87 -42.26 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -48.62 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.0 ttp -52.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -46.9 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.0 tp -52.28 -40.39 61.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -71.59 -29.78 65.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.86 -47.18 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 -41.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' LEU . 8.9 tp -45.16 -31.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -38.7 9.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -37.97 79.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LEU . 2.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.31 -49.69 33.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.9 69.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -29.57 66.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -48.91 55.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.04 -49.29 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -53.67 -57.33 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.42 -58.29 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.95 -67.31 2.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.17 -58.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.989 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 17' ' ' ILE . 1.4 mp -48.04 -47.15 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -54.64 -39.37 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.16 -19.62 71.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.3 t80 39.07 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 97.79 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 67.57 103.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -153.44 138.22 17.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.01 167.64 11.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PRO . . . 172.79 -83.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' GLY . 35.5 m -38.88 99.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.01 70.16 5.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -175.89 -67.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.14 -51.43 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -50.0 -49.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.05 -36.63 65.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.08 -29.6 68.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -77.96 -34.74 50.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.724 . . . . 0.0 109.256 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.3 -45.89 68.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 p -68.83 -47.13 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.13 61.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.96 -58.12 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.48 -46.26 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.74 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.7 m-85 -42.22 -53.21 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.67 -61.95 4.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . -53.02 -27.85 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -69.98 -38.24 76.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.09 -36.24 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 18.9 m -119.38 -146.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -174.99 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.0 -84.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' SER . 7.9 t70 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -34.16 73.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -51.89 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -34.01 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.93 -29.04 63.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -72.67 -51.65 18.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 59' ' ' THR . . . -60.37 -47.69 84.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.14 -52.11 65.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 66' ' ' ILE . 9.2 t80 -63.75 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -67.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.17 -49.69 41.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 m -53.04 -37.28 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.559 HD12 ' CD2' ' A' ' 62' ' ' PHE . 51.4 mt -74.0 -29.91 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.2 ttm -77.47 -66.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.52 -54.3 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.6 -50.7 2.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -54.56 6.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.28 -39.11 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.97 -29.96 71.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.21 -56.82 6.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.67 -46.45 49.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.63 -39.52 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -62.8 -51.81 65.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.52 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.56 -56.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -29.9 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -35.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.91 -70.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 55.4 t -52.44 -47.77 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -40.57 -35.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.99 -48.93 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -57.37 -48.8 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -50.01 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.19 -39.27 72.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.03 -30.39 70.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.78 -55.7 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.4 -54.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' PHE . 3.6 m -53.64 -59.9 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -37.56 -53.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -64.94 -59.82 7.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -39.56 -61.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -53.75 -42.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -51.55 -36.71 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.04 -19.34 47.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 33.9 t80 47.71 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -107.41 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -162.87 124.78 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -170.75 147.99 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.9 -129.6 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.12 60.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 76.5 t 63.09 142.94 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.07 64.3 6.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -178.72 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -51.39 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 tp -49.99 -49.81 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.04 -36.52 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.02 -29.64 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.92 -40.0 63.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.75 -50.66 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.99 -52.41 31.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 t -57.52 -57.66 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.4 -47.63 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.86 -58.68 7.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.67 -76.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -37.26 -59.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.54 -58.0 7.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -53.1 -30.12 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 1.4 t80 -72.03 -36.0 69.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -43.98 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 p 174.95 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -67.61 74.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER 165.39 116.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LYS . 12.6 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -36.55 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.444 HG11 ' CB ' ' A' ' 43' ' ' ALA . 6.6 m -41.76 -58.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -48.31 -45.21 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.59 -42.04 70.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.24 -23.31 60.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -74.49 -46.68 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' HD13 ' A' ' 86' ' ' LEU . . . -70.53 -37.75 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -63.51 -48.41 77.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.25 -46.33 87.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -57.57 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.25 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.35 -29.95 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.47 -43.32 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.07 3.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -49.7 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.11 -37.35 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.83 -29.86 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.77 34.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 60' ' ' ALA . 27.0 mt -59.4 -49.93 75.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -55.8 -52.02 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -47.14 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -49.75 69.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.11 -56.18 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.54 -53.41 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -29.86 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -30.63 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.15 -42.14 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.8 t -80.22 -48.03 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.46 -35.04 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -45.49 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.83 -47.99 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.23 -50.67 20.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.24 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.97 -54.98 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -52.81 -61.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -45.69 -49.3 14.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -49.97 -50.22 47.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -68.44 -61.67 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.28 -59.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 18' ' ' PHE . 1.6 tp -55.01 -43.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.451 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -53.93 -33.21 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.3 -19.61 45.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 51.08 99.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 -176.52 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.92 -73.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 164.04 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.8 -43.43 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' ' CG2' ' A' ' 26' ' ' VAL . . . 75.84 -155.41 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG2' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER 40.48 87.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.801 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.82 42.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.81 -57.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.85 -48.65 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.09 -52.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.29 69.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.89 75.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -78.08 -34.96 49.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.06 -57.43 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.04 -50.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.4 24.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 40.5 t -57.23 -43.94 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -46.32 -64.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -59.54 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -36.26 -78.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 32.0 t80 -36.87 -57.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.736 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.17 -54.62 8.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.92 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -72.97 -29.76 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 6.0 tpt180 -80.43 -65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 175.65 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 71.49 -169.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 9.7 m-80 71.62 81.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.468 ' CB ' HG13 ' A' ' 55' ' ' VAL . 1.7 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.92 -45.96 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' A' ' 49' ' ' ASP . 12.7 m -41.67 -51.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.5 m -47.35 -50.42 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -38.34 74.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.66 -24.78 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -74.24 -49.8 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.69 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.37 -54.02 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -60.04 -32.18 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.51 -54.28 18.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.8 p -56.14 -30.89 62.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 62' ' ' PHE . 15.4 mt -75.04 -30.01 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -66.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.07 -0.396 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.02 -39.88 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.59 -57.25 1.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -49.03 -48.5 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.03 -37.93 57.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.59 69.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.46 -60.09 4.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.9 tp -52.49 -44.82 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -54.39 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -50.87 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.01 -53.41 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.72 -56.76 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 mt -53.52 -49.18 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.35 -29.92 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -81.2 -29.79 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.42 -34.07 73.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 96' ' ' LEU . 33.9 m -81.38 -31.64 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -52.97 -47.72 67.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.64 -61.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.65 -57.43 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.72 -49.84 36.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.08 69.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 14' ' ' PHE . . . -70.81 -29.61 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -51.71 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.58 -57.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.9 m -47.3 -66.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 30.6 t80 -51.02 -55.22 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -47.36 -75.75 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -39.18 -50.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.947 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 21' ' ' LYS . 69.7 mt -49.17 -54.08 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -29.9 64.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.32 62.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 177.88 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -39.35 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ARG . 6.0 ptt180 176.38 59.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.02 142.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -56.27 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.04 155.14 7.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.508 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -76.1 -51.68 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.753 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.95 112.21 3.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER 159.52 -179.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.36 -43.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.7 mm -47.33 -57.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.22 -32.16 68.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -30.56 75.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -37.21 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.07 -53.27 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.49 -52.6 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.48 -47.87 35.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.6 t -65.07 -40.88 95.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tt -48.15 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -57.25 -66.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ALA . . . -36.91 -71.91 0.17 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 44' ' ' TYR . 31.8 t80 -39.07 -53.3 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.08 -52.8 37.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.17 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -83.76 -28.83 27.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' C ' ' CG1' ' A' ' 46' ' ' VAL . 1.3 ttp180 -45.83 -53.92 8.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.465 ' CG1' ' C ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 166.0 76.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.11 -67.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -149.97 112.09 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.13 -40.25 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.0 t -41.94 -58.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -44.47 43.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.28 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.86 -23.13 58.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -72.59 -55.19 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.59 87.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.88 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 66' ' ' ILE . 49.5 t80 -61.87 -36.71 82.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.65 -61.69 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.99 -51.33 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -54.62 -29.84 53.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.477 HG13 ' CE2' ' A' ' 62' ' ' PHE . 10.5 mm -81.06 -29.81 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -62.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -58.24 -46.51 85.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 80' ' ' ALA . . . -35.47 -44.62 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.32 -60.17 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 22.9 m -59.06 -28.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -66.74 -34.06 77.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.02 -51.95 8.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -48.55 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -60.61 -53.24 59.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -48.68 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 tpp -56.78 -57.02 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -49.3 -55.27 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.5 mt -48.22 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -29.71 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -65.37 -41.91 93.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.32 -38.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -36.39 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 tt -39.96 -44.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -47.15 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.499 0.19 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.6 124.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.97 74.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -119.37 173.8 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -37.83 124.52 1.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 10.7 t80 -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.19 -54.4 1.58 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.7 -50.65 32.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -33.99 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.62 -29.64 66.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.06 -61.91 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.12 -39.51 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -59.35 -53.1 62.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.57 -53.95 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.45 -69.04 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 p -41.25 -54.33 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 15.1 mm -48.44 -48.75 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.3 -36.2 70.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.05 -19.78 74.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' ILE . 46.1 m-85 38.72 91.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.58 53.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 -56.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.48 172.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.19 65.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.94 -42.5 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 41.0 t 50.41 64.5 8.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.02 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.441 1.758 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t 176.06 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -41.89 -47.1 4.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 tp -50.37 -52.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.7 66.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.98 -29.65 66.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -44.01 56.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.57 -52.37 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.36 -59.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.62 -39.82 46.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.68 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 mt -41.48 -40.46 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.74 -67.62 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -38.08 -58.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.24 -51.89 29.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.01 -32.2 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -77.15 -29.97 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.98 89.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.7 t 66.95 78.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -123.92 -48.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.73 -50.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.93 156.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -178.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 169.79 15.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.3 p30 -56.75 177.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.0 t 67.62 -75.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASP . 1.3 mttp -45.55 -45.0 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 m -42.02 -57.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 m -47.94 -45.82 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -41.93 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.72 -22.77 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 m -73.31 -48.29 35.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.27 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.51 -47.07 87.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.35 -59.44 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.29 -50.31 59.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -55.11 -31.51 61.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.93 -29.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -53.9 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.98 -60.09 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.57 100.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.57 158.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -38.26 142.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.29 121.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 119.77 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.45 179.7 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 172.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.49 179.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 20.75 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.503 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.89 -51.09 83.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -55.63 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.47 -50.3 62.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.63 -50.07 3.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -50.72 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.35 -34.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.78 68.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.27 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 1.8 tm? -56.04 -45.48 79.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -54.47 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -39.17 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -54.55 41.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -53.64 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mt -51.89 -52.84 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -29.95 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -74.75 -32.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -36.41 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.6 t -88.13 -38.54 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tt -48.79 -43.38 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.83 -51.25 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.33 -57.14 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.547 0.213 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.45 151.24 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 41.76 67.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.1 tt -152.77 130.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -38.55 118.05 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 20.7 t80 -60.57 -56.49 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.18 -54.93 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.68 -50.28 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.56 69.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.57 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -51.69 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.61 -59.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 17' ' ' ILE . 3.4 m -44.2 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.85 -49.05 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -54.11 -79.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -38.92 -48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' HA ' ' CA ' ' A' ' 21' ' ' LYS . 39.6 mt -48.04 -55.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.63 -29.96 66.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 -26.91 68.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 21' ' ' LYS . 34.6 p90 177.87 -49.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' N ' ' CD2' ' A' ' 20' ' ' TYR . 9.8 tptt 178.01 -151.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -118.93 -45.14 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 -46.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.3 -149.74 9.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.7 133.05 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.45 147.71 2.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.72 5.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.571 1.827 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t 74.73 -66.7 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.87 -49.02 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -49.63 -51.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.22 67.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.04 -29.87 70.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.82 -44.78 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.69 -49.03 78.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 36' ' ' GLY . 4.3 p -63.25 -45.26 98.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' HG11 ' A' ' 35' ' ' VAL . . . -57.43 -39.57 90.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.8 t -70.65 -62.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -40.06 -48.0 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -57.76 -59.23 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -78.63 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -40.97 -57.04 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -52.55 -51.97 40.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -52.72 -29.73 28.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -29.73 25.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -71.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLY . 98.6 t -51.74 -33.97 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 103.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 178.6 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.59 93.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.45 112.71 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.0 -61.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -162.46 -62.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.36 28.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' VAL . 8.1 tptt -76.87 -54.34 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 7.6 p -40.45 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -48.47 -52.55 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.61 -34.93 67.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.13 -29.07 65.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 12.5 m -73.63 -47.04 43.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.04 82.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -64.86 -65.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -41.26 81.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.3 tp -55.31 -61.88 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.42 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.4 m -54.79 -33.02 60.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.73 -29.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -77.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.53 22.43 3.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 9.8 p -155.03 70.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -150.41 46.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 56.34 47.29 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' ARG . 3.8 mmpt? -94.78 -169.87 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER 79.46 -54.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.8 p -39.36 138.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.33 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 64.11 138.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 77' ' ' ILE . 1.8 mp -75.21 70.51 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.98 154.59 0.37 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 104.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.89 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.85 -53.38 3.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -48.48 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.8 -37.68 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.61 -29.84 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.95 -55.04 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -41.46 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -48.48 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -49.2 78.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -49.99 -60.73 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.05 -47.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -37.39 61.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 4.2 mtp85 -73.45 -29.95 62.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt -44.3 -62.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.18 -39.79 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' LEU . 1.2 tm? -40.68 -37.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.2 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -49.38 75.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.488 0.185 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 4' ' ' ILE . 11.1 m-20 -171.06 -55.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.07 70.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -164.41 156.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -39.79 138.72 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 5.0 m-85 -87.13 -55.1 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.19 -56.46 1.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -48.32 -49.58 33.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -36.34 69.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.59 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -57.25 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' SER . 17.9 m -60.2 -33.89 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.9 m -60.7 -55.25 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -59.61 -59.71 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.23 -67.42 2.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 14.6 t -41.3 -51.57 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 13' ' ' THR . 29.9 mt -48.58 -50.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.0 -33.51 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.71 74.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 38.73 92.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.75 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.37 15.49 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.38 165.65 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -98.51 164.49 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.4 -112.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -177.07 -59.52 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' GLY . 93.3 t -40.23 100.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.33 4.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.87 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.11 -48.9 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.6 mm -49.58 -51.63 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.63 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.05 -29.78 70.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.7 -46.13 39.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -39.38 94.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -68.52 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.07 -48.68 25.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 63.1 m -56.95 -60.65 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 44.2 tp -40.55 -42.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.12 -71.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.36 -72.44 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.32 -54.07 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.39 -55.17 13.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -29.87 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.21 -30.79 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -58.5 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLY . 57.1 t -70.99 -65.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 t 79.05 143.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 174.08 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.5 79.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -97.08 -160.61 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 64.52 132.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.9 127.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 p -70.88 60.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.37 -44.54 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.5 t -42.23 -55.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -46.42 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.25 -39.59 72.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.24 -22.25 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -76.16 -41.57 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.38 -46.85 53.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.25 -50.19 74.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CE1' HD13 ' A' ' 66' ' ' ILE . 30.3 t80 -61.59 -58.99 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.31 -55.71 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.51 60.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -55.11 -30.64 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 62' ' ' PHE . 10.9 mm -77.83 -30.12 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -56.71 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.27 62.36 1.9 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.61 153.88 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 153.15 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.79 -58.32 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -146.28 138.03 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.99 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.76 119.48 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 104.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.55 173.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.3 mt 59.03 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.19 158.07 4.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 53.21 3.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.8 -58.64 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -37.78 -50.84 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.12 -55.66 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.61 -39.83 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.16 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.4 -61.23 3.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.76 -45.67 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -61.3 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mp -43.72 -49.06 8.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmm -51.47 -59.4 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 mtt -46.81 -53.77 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.7 mt -48.91 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.72 -29.92 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -67.21 -39.83 86.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -46.56 8.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.55 -48.62 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -41.64 -34.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.39 -50.85 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.3 -46.34 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' CB ' HD12 ' A' ' 96' ' ' LEU . 3.5 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.515 0.198 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.54 152.13 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 pp -140.32 105.79 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 tt -174.92 -47.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.94 61.77 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.67 -54.8 6.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.763 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.3 -56.08 1.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -48.91 -49.5 39.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 0.785 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -35.44 68.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -29.76 65.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.76 -55.19 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.07 -59.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 7.8 m -42.63 -51.84 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -54.04 -52.68 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.09 -69.86 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -41.0 -55.9 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -48.23 -48.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -37.6 70.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.26 -19.64 73.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 47.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.779 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.0 58.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.32 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.0 137.22 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.93 103.83 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -157.67 -89.41 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 p -39.41 99.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.4 Cg_endo -74.98 78.84 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -176.05 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.66 -56.27 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -47.89 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.6 73.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -46.73 67.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.83 -36.32 82.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.81 -65.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.22 -43.03 42.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.82 -65.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -39.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.63 -68.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.33 -70.22 1.06 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -42.97 -57.03 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.93 -53.27 23.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.71 49.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.36 -30.02 47.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -53.86 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.96 60.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -57.63 161.11 3.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -179.29 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.37 -69.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.11 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.58 109.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -50.93 136.94 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 26.3 t 68.27 -68.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -40.52 -45.87 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 p -42.27 -56.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -48.57 -45.27 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -41.42 73.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.09 -21.85 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -74.28 -52.91 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.461 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.85 69.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.9 -52.96 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 66' ' ' ILE . 12.2 t80 -63.2 -45.17 92.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -58.64 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.89 58.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -55.36 -31.51 61.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 62' ' ' PHE . 18.6 mt -76.08 -29.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -54.79 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 57.03 1.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -116.1 139.38 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 163.16 13.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -78.12 119.46 21.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 125.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.88 -48.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.04 162.49 12.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -120.02 120.27 35.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER 68.75 -66.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -70.63 63.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 ptt? -138.01 151.4 70.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' GLY . . . -70.4 -39.94 74.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ALA . . . -37.45 -49.05 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -56.55 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 0.776 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.91 -36.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -31.66 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.49 -53.2 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -50.1 -44.02 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -63.87 -56.06 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -44.63 -39.9 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -50.33 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.2 pp -52.06 -48.74 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -54.01 -34.1 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -75.87 -29.91 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.62 -51.4 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.26 -42.05 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.8 -35.63 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -40.86 2.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -47.16 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.543 0.211 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.56 -55.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -112.48 176.61 4.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mt -115.76 -64.83 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.06 172.39 20.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 49.5 m-85 -89.7 -51.4 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.1 -58.02 1.28 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.38 -48.55 36.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 0.711 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.35 68.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -29.49 65.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.94 -56.17 10.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.97 -50.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.5 m -49.68 -60.85 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 1.7 t80 -50.91 -43.09 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.39 -76.01 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -51.35 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mm -50.03 -51.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -58.27 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' TYR . . . -81.54 -21.39 62.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 36.52 61.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 -62.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 85.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.83 168.56 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.16 -109.27 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 p -138.58 69.98 45.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.07 -176.16 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -59.76 -47.76 84.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tp -41.74 -53.86 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 17.9 mm -49.67 -48.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.6 -38.65 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.06 -29.6 68.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.68 -38.98 67.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.28 -58.1 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.27 -51.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.46 -58.42 11.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -50.63 -45.74 57.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -60.26 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.13 -69.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.27 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.9 t80 -38.67 -53.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.22 -60.72 4.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.16 -29.56 60.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -67.95 -34.23 76.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 10.7 mtm180 -45.93 -49.13 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER 164.41 -46.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.2 p -60.09 167.93 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.23 108.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 65.01 1.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.41 129.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.51 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.65 88.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.421 ' CG1' ' HG2' ' A' ' 90' ' ' MET . 10.6 t 72.58 -59.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -65.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -41.64 -53.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -48.17 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.93 -36.39 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.97 -25.61 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.7 m -70.74 -49.79 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -36.03 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.68 -49.66 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.8 -42.88 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -59.89 4.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.0 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -55.4 -30.49 60.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.8 mm -78.13 -29.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -65.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.84 -94.16 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 p -144.05 -53.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -161.66 146.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -67.54 158.34 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -138.47 174.13 10.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -67.25 98.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.42 178.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.1 72.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -124.75 57.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 1.7 ttt 40.47 63.34 5.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.64 -54.9 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.36 -53.03 3.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 mt -48.38 -49.58 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 0.796 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.0 t -56.69 -38.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.79 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.14 -47.9 34.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.75 -45.58 91.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -55.37 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -50.47 -40.41 50.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -51.18 70.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.421 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 mtt -54.42 -56.24 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.1 mt -51.04 -54.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.61 -29.88 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.75 -32.46 65.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.75 87.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.91 -36.06 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -46.35 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -56.15 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -54.4 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 tpp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -89.58 -59.61 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.6 171.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 tp -105.4 -51.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 38.65 64.32 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.24 -51.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.02 -56.34 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -47.37 -50.18 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.1 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.86 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -45.82 48.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.22 -55.34 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -56.4 -50.33 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -45.78 -63.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -56.99 -61.56 7.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -38.68 -64.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.74 -45.45 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.3 t80 -51.06 -44.01 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -19.46 69.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.2 t80 50.73 102.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -142.89 65.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 72.48 95.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -60.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 -97.59 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.3 -131.79 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.2 91.81 43.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p 179.63 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.0 -50.65 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.33 -50.19 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.69 -35.06 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.66 -29.71 67.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -44.57 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.45 -44.27 91.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.69 -58.54 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.86 -42.49 38.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -40.61 -43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.04 -75.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.34 -71.64 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.52 -50.13 19.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.17 -39.84 57.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -73.76 -29.66 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -49.58 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 47' ' ' SER . 16.6 m -80.05 -51.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.43 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 39.32 79.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.0 -48.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.6 -55.78 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -173.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.22 107.03 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.36 175.28 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.58 -23.19 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -43.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 56' ' ' SER . 33.3 m -43.25 -54.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 7.9 t -49.42 -45.63 46.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -39.15 75.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -76.22 -19.65 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.2 m -77.47 -40.82 41.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.27 -39.38 48.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.48 -48.49 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -67.44 -49.01 65.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.37 -57.77 8.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.37 -50.31 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -55.25 -30.14 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mm -78.55 -29.97 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mmt -68.27 -35.53 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.99 -82.3 0.3 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.41 133.8 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -88.64 90.99 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.8 -53.39 4.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.4 68.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -59.16 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.13 130.32 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 60.09 5.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -87.64 174.15 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 78' ' ' MET . 3.9 mp -109.86 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.9 mtt 164.77 -52.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.1 Cg_endo -75.01 -58.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.87 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.56 -51.26 3.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -50.15 40.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.72 -35.77 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.52 -54.57 8.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.67 -41.29 77.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -59.88 -57.78 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 -44.08 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 tpp -57.21 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -56.2 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.63 -62.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.76 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -66.11 -43.33 87.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.42 -32.93 28.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.5 t -86.02 -44.47 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -47.43 -41.5 20.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -40.53 -56.43 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.509 0.195 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.68 85.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.83 53.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -118.45 -39.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' N ' HG12 ' A' ' 4' ' ' ILE . . . -152.72 88.62 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -88.8 -53.45 4.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.15 -56.78 1.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.29 -49.28 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.62 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.57 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.93 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.58 -48.27 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -51.64 -66.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -39.11 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.84 -72.86 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -41.2 -50.61 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.27 -51.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.57 -32.86 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.17 -19.94 76.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.9 t80 178.93 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.45 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 -61.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 179.99 119.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.89 136.2 4.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.96 -113.47 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 3.7 p -150.2 65.17 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.99 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -70.95 -52.41 20.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -41.51 -54.62 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.3 mp -48.38 -49.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.23 -40.64 64.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.69 72.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.175 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.09 -47.0 48.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.11 -56.06 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' CG2' ' HB ' ' A' ' 59' ' ' THR . 11.1 p -56.91 -54.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.97 -33.03 35.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.9 t -66.68 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.2 tp -40.28 -44.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.54 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -52.81 -68.62 1.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -36.3 -56.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.741 . . . . 0.0 110.985 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.94 -53.95 20.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.59 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -78.52 -29.93 46.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -70.56 -32.67 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t 67.75 71.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -132.6 22.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.05 -175.17 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.33 -11.96 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -59.17 119.61 7.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.97 65.74 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -174.05 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t 44.42 37.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -87.44 -50.77 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' LYS . 50.1 t -39.78 -49.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.4 OUTLIER -48.66 -53.77 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.08 -33.64 65.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -32.22 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 16.5 p -78.57 -36.1 44.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 86' ' ' LEU . . . -68.2 -38.58 82.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -70.86 -55.62 8.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' THR . 7.3 tt -60.42 -56.37 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' MET . . . -47.09 -61.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -54.54 -29.18 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 64' ' ' ALA . 13.6 ptt? -90.08 -29.57 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 67' ' ' MET . . . -158.79 -120.55 0.59 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 2.0 p 179.25 56.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 63.7 97.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -82.14 -74.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.24 74.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -164.14 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -124.47 -178.22 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.051 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 121.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.51 -62.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -179.17 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.5 mmm 163.75 -52.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -73.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.96 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.63 -52.59 3.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -50.12 -48.75 53.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -36.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.72 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.59 -50.64 14.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 1.9 mt -60.37 -41.45 93.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.17 -52.92 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.15 -46.49 89.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -56.55 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.2 mm -51.65 -53.38 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -29.97 59.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -31.89 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.89 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.1 t -46.65 -42.72 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.19 -38.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -45.65 -48.61 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -40.21 76.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.475 0.179 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.47 156.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.59 -66.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 tp -174.94 -50.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.2 158.04 30.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -87.3 -54.92 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.776 . . . . 0.0 111.0 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.26 -55.84 1.52 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -48.38 -49.84 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.74 69.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.77 66.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -59.01 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -54.01 -46.72 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' PHE . 27.5 m -54.5 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.1 t80 -37.32 -43.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -77.35 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.0 m -39.62 -50.5 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.75 -53.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.84 -30.52 67.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.05 -24.33 69.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -68.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 179.55 174.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.77 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.34 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.63 96.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.36 -72.15 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.91 106.25 36.86 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -178.15 -62.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 28' ' ' SER . 3.9 pp -42.1 -48.18 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 mm -49.55 -52.02 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.71 70.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -37.18 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.03 -42.04 81.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 p -69.87 -47.54 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.05 -50.19 68.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.74 -65.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.68 -41.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -67.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -71.07 0.82 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -61.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.62 -50.28 25.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.69 50.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -32.99 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p -98.47 44.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.66 -179.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -132.99 55.49 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 p30 168.28 -179.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt 72.97 132.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -127.51 174.38 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -65.23 81.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.61 -72.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -42.17 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -42.51 -52.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -48.86 -48.09 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -37.43 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 32.5 t80 -73.73 -22.32 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -76.46 -45.07 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.56 -48.33 64.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.84 -52.42 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 46.2 t80 -63.66 -37.63 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD2' HD21 ' A' ' 82' ' ' LEU . 10.1 tp -58.26 -71.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -45.83 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -50.57 -47.02 58.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 67' ' ' MET . 1.5 tt -67.14 -29.36 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.431 ' N ' HG23 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.59 -47.27 84.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.4 -75.28 0.27 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -103.1 143.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -47.83 -57.17 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 8.3 p90 -143.18 104.41 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.78 161.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.61 91.13 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 78' ' ' MET . 0.2 OUTLIER -128.68 -78.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.01 80.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 68.32 59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.4 mp 67.78 96.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.538 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -45.48 -49.07 35.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.02 55.17 3.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.86 -54.88 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -48.89 -50.2 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.04 -36.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.97 -29.76 69.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.05 -58.76 5.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.69 -42.07 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -60.68 -53.51 56.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.47 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -53.52 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -55.77 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.8 mm -50.73 -55.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -29.89 53.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -35.04 71.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -48.03 83.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.4 -46.67 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.69 -29.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 tt -41.09 -42.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -44.87 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtp . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.474 0.178 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -178.49 155.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.3 130.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -132.8 96.19 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.04 106.44 2.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -50.16 -53.33 28.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -36.93 -58.83 1.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -48.04 -48.37 33.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -55.63 -38.16 69.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.53 66.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -73.11 -64.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 16' ' ' SER . 7.0 p -52.7 -33.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 2.4 m -64.67 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.43 -65.75 3.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 47.7 t -38.85 -63.84 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 mm -46.11 -46.17 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.5 t80 -51.46 -44.29 62.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.84 -19.63 72.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 112.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -142.91 63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 63.62 113.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.59 165.58 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.06 153.5 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.54 31.39 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.75 83.76 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.44 3.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -168.48 -72.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.91 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 tt -50.37 -52.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' CG2' ' A' ' 35' ' ' VAL . . . -57.36 -32.17 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.89 -29.58 66.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -76.43 -38.37 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -54.35 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 31' ' ' ALA . 30.5 m -69.33 -35.19 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.51 -29.87 71.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 3.9 m -79.35 -41.18 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -60.09 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.43 -45.47 92.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.09 -79.67 0.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 11.7 t80 -42.83 -54.78 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.83 -51.5 44.72 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.03 -31.91 43.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -83.0 -28.76 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -59.24 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.33 -32.91 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.1 p -164.53 179.73 6.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 53.72 90.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 67.3 m-20 -49.21 -46.85 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 152.38 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -138.85 -177.43 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.52 68.38 8.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.8 t 49.07 52.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -40.65 -52.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -51.0 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -37.81 68.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.83 -29.08 67.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 m -74.34 -45.09 49.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.78 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.96 -49.54 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 66' ' ' ILE . 6.9 t80 -59.25 -42.35 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -59.01 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.63 -55.42 13.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.74 -30.0 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.559 HD12 ' CD2' ' A' ' 62' ' ' PHE . 1.1 mt -72.86 -32.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 tpt -85.55 -68.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' CG2' ' A' ' 69' ' ' VAL . . . 99.97 50.82 1.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.432 ' CG2' ' C ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER 40.3 74.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -139.66 -58.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 79' ' ' PRO . 5.7 t80 55.41 178.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.13 -53.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.04 134.25 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -86.32 177.2 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp 64.28 119.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.42 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -50.82 174.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 71' ' ' PHE . 18.3 Cg_endo -75.0 115.92 4.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.03 4.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.68 -50.06 4.01 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.91 -50.46 46.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.45 -34.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.76 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.27 -50.64 8.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.56 -42.96 84.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -56.79 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tp -44.03 -44.78 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -56.34 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 ttm -50.46 -53.28 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mm -50.89 -55.83 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -53.89 -29.92 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.2 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.4 m -49.78 -39.18 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.04 -51.34 3.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 tp -40.53 -50.44 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -60.25 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.5 0.191 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.85 166.63 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -118.42 156.0 29.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.46 HG12 ' CB ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -158.8 149.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.69 -178.07 9.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.9 t80 -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.17 -55.59 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.555 1.16 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.46 ' CB ' HG12 ' A' ' 4' ' ' ILE . 1.2 m-85 -48.64 -49.97 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -57.1 -35.22 69.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.6 65.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -67.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -50.38 -44.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 12.1 m -53.78 -69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -45.17 -38.81 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.57 -80.93 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.13 -50.07 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mm -48.31 -53.1 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.91 -31.5 68.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.01 -23.05 72.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.34 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -173.19 -161.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -110.29 -48.41 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 163.62 108.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.7 -142.81 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.34 59.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 70.6 t 63.87 142.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.88 -61.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.9 -50.38 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -48.84 -51.17 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.62 -36.82 67.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.79 -29.78 72.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.97 13.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.97 -46.56 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 59' ' ' THR . 17.1 t -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -44.45 -42.21 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.14 -40.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.69 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.67 -67.05 2.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -37.27 -58.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.5 -51.01 45.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -30.56 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -84.06 -29.43 26.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -32.35 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.4 t 66.69 52.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 p -108.8 -43.27 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -86.09 -26.52 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 51.48 78.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -104.26 -165.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -68.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.24 165.05 11.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -80.96 68.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -77.4 -36.19 53.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -42.03 -56.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -47.4 -46.46 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -42.55 73.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.28 -23.09 61.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.5 ' OG1' ' CG1' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -73.59 -51.68 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.94 -49.23 75.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -55.61 -51.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.99 -36.99 85.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.506 ' O ' ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.12 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.65 -44.31 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -48.91 -48.16 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 63' ' ' LEU . 1.3 tt -70.9 -28.44 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.444 ' N ' HG21 ' A' ' 66' ' ' ILE . 11.5 ttt -61.7 -47.21 86.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.16 -96.7 0.17 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -94.65 161.74 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.8 11.54 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -135.93 68.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.34 122.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG2' ' CB ' ' A' ' 80' ' ' ALA . 7.2 mtp180 -123.4 83.66 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER 171.67 78.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 78' ' ' MET . 5.7 mmtt 168.96 170.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.57 36.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mm 71.75 43.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 59.54 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.61 16.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 73' ' ' ARG . . . -50.33 -52.87 33.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.55 -50.48 3.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -49.94 -50.33 46.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.17 -34.15 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.26 -29.78 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.5 -46.04 34.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -44.54 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.08 -46.24 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -50.13 68.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.02 -54.99 35.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.59 -58.76 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -29.85 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.31 -38.67 81.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -51.95 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.26 -30.53 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -37.86 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.0 mt -41.45 -45.85 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -52.93 33.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.494 0.187 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.76 118.67 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 96.44 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 pt -139.3 166.86 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.59 104.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.8 m-85 -68.13 -59.07 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.07 -54.92 1.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -47.63 -50.92 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -35.69 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.83 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.41 -53.25 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.3 t -53.26 -51.76 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -52.69 -57.66 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -59.06 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.0 -66.04 3.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLY . 7.6 t -38.28 -64.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -45.4 -46.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.8 t80 -50.78 -45.42 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.27 -19.61 74.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.55 107.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -171.9 61.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -179.65 3.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.36 -56.89 0.51 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.26 88.71 1.23 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.65 94.62 33.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.05 150.98 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER 84.91 -65.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -42.1 -52.3 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pp -49.38 -49.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' CG2' ' A' ' 35' ' ' VAL . . . -54.47 -38.08 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.61 70.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -63.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.741 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.61 -46.6 67.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 31' ' ' ALA . 53.9 t -59.69 -70.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.99 -48.53 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -54.96 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 6.1 tp -40.49 -37.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.99 -66.64 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -43.26 -57.4 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.36 -52.25 28.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 -31.55 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.7 -29.89 51.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -66.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.07 -51.52 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t 53.24 102.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 178.71 55.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 167.19 -65.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -168.79 -168.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 173.28 61.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LYS . 7.1 t0 176.87 103.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t 70.52 -60.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' ASP . 5.8 mttm -40.26 -58.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 m -41.23 -59.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.63 -45.62 27.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -43.27 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.8 -24.58 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -72.92 -50.04 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.26 89.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' THR . 24.5 t80 -59.67 -56.94 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.87 -41.98 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 2.6 mm? -57.41 -76.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.21 -43.09 9.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.4 m -48.12 -49.29 32.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 63' ' ' LEU . 1.9 pt -70.8 -28.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -70.77 -55.91 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.57 -97.35 0.16 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.6 t -116.85 127.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -40.02 -63.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -79.71 157.95 27.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 -67.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.2 139.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.77 167.81 24.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -124.21 55.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.87 -70.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.1 tt -95.6 -38.17 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.64 84.54 0.18 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 54.79 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -70.31 -39.68 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' ALA . . . -35.12 -44.63 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.91 -60.71 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 32.6 m -60.12 -29.54 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -65.05 -32.76 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.75 -52.41 5.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.4 tp -49.55 -46.99 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -64.84 -59.26 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.26 -43.21 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.0 mtt -63.13 -56.39 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.0 ttm -50.55 -53.26 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -51.31 -54.68 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -29.91 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.65 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -39.7 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.42 -52.23 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -48.29 -33.44 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.98 -55.38 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -52.19 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.484 0.183 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.52 118.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.66 76.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' PHE . 3.7 tp -171.84 143.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.31 96.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' ILE . 1.6 m-85 -54.51 -56.42 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.08 -56.7 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -47.83 -49.7 28.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -29.88 68.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -41.72 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -51.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 20.3 p -54.39 -49.81 69.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -56.33 16.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 -68.14 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.14 -58.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 13' ' ' THR . 67.9 mt -48.37 -47.48 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.82 -38.57 67.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.78 -19.69 69.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.58 104.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -165.61 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.25 149.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.27 -58.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.73 -114.06 1.04 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' CG2' ' A' ' 26' ' ' VAL . . . 111.88 96.81 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 162.93 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -175.52 2.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -123.01 25.22 8.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.93 -52.03 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -48.27 -50.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -54.2 -39.39 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.91 73.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -56.66 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.68 -41.05 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 59' ' ' THR . 3.1 t -65.3 -67.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.23 -45.61 5.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.16 -66.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -37.63 -43.43 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.06 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.27 -72.21 0.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -39.72 -55.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.98 -54.72 17.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.61 -30.24 41.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -79.15 -31.13 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -69.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLY . 38.4 t -91.47 59.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.2 141.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.48 -46.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -173.61 104.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.74 117.44 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -99.37 -62.11 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.51 -62.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 2.6 p -175.74 39.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -35.63 60.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -41.83 -55.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -46.99 -47.77 21.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -42.22 73.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -71.77 -23.02 61.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.468 HG21 ' CG1' ' A' ' 35' ' ' VAL . 2.7 m -75.07 -47.57 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.64 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.77 -49.11 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.54 -54.13 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.81 -57.63 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.51 47.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.6 m -54.49 -32.53 58.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.1 mm -77.39 -29.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.463 ' HG2' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -82.98 -70.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.06 -98.19 1.78 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.26 70.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.37 44.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -167.59 42.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 176.46 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -93.41 -28.95 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.09 126.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.88 159.8 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.48 -57.83 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.9 mt -95.66 -58.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.65 153.4 70.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.12 34.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.04 -52.99 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.66 -49.5 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.7 -36.26 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.33 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.99 -62.54 3.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.32 -40.7 49.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -60.92 -64.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -40.15 -41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 mtt -63.43 -51.38 65.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -54.96 37.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.67 -58.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.61 -29.86 39.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -37.97 79.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -62.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.93 -43.77 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.09 -34.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -51.34 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -46.76 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.523 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.36 119.14 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.25 -65.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt 43.08 49.92 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.65 81.58 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -88.1 -54.86 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.17 -56.32 1.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -47.9 -49.83 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.54 70.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.6 67.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -46.18 56.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.81 -60.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -51.72 -50.76 59.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.67 -63.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -60.13 -61.83 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.39 -66.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -44.12 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.5 t80 -50.62 -43.22 56.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.76 -19.59 65.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.31 132.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.4 -176.58 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -73.76 -40.94 63.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 6.4 mtp180 159.75 -176.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.01 79.55 0.59 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.33 -63.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.62 93.53 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.65 10.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 m -99.19 -64.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.08 -50.25 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' A' ' 31' ' ' ALA . 2.7 pp -49.12 -50.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 30' ' ' ILE . . . -55.74 -36.59 67.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.14 -29.67 72.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.36 -40.63 50.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.73 -45.87 87.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.3 -49.67 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.49 -36.75 64.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.157 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -67.91 -61.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.4 tp -39.76 -50.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -55.17 -64.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.61 -78.83 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -39.44 -59.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.51 -51.17 33.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.35 -32.46 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -78.77 -29.82 45.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -76.19 -46.7 27.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.0 p -80.84 -31.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.33 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.39 -43.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.93 103.79 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' CB ' HG21 ' A' ' 55' ' ' VAL . 7.1 mmpt? 60.62 -176.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -57.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -156.98 176.54 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t 65.18 -81.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -48.35 -49.71 33.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG21 ' CB ' ' A' ' 50' ' ' LYS . 56.1 t -41.51 -58.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.71 -45.77 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -54.41 -42.73 70.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -72.24 -23.6 61.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -73.87 -61.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . . . -59.56 -40.46 87.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 79.6 t80 -60.2 -51.71 68.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.34 -34.85 79.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.29 -46.54 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -51.43 -41.79 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -71.76 -29.79 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -76.93 -60.9 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.94 -122.79 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.444 1.09 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 70' ' ' ARG . 76.8 t -128.73 -89.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' N ' HG13 ' A' ' 69' ' ' VAL . 1.3 ttm180 -167.42 85.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 72' ' ' LYS . 5.5 p90 -173.88 -159.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 20.5 mttt -103.05 132.38 49.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' SER . 1.1 mpt_? -107.22 -177.92 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 73' ' ' ARG . 0.4 OUTLIER 162.26 67.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.958 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -171.81 85.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.69 157.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 tp 40.46 56.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.43 115.76 9.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.78 21.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.89 -57.28 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.85 -52.46 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tp -47.44 -50.88 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -56.77 -38.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.7 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.09 -52.4 14.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CB ' ' A' ' 60' ' ' ALA . 1.9 tm? -54.28 -45.06 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.54 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -46.26 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -60.36 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.92 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mm -52.23 -51.35 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.26 -30.22 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -33.64 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.97 -49.7 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.18 -39.97 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.06 -51.21 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -46.41 63.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.519 0.2 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.49 159.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -145.39 64.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 mm -134.75 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.69 118.83 3.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 7' ' ' GLY . 54.1 p90 -72.23 -44.36 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' N ' ' CD1' ' A' ' 6' ' ' PHE . . . -37.11 -57.13 1.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -48.79 -48.95 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.42 68.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.68 65.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -59.34 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -54.78 -52.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -53.3 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -40.94 -37.72 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -65.33 -86.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 36.1 t -38.9 -49.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.802 . . . . 0.0 110.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.0 mm -48.49 -54.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.26 -30.08 66.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . -77.39 -24.38 65.81 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER 36.36 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -174.93 -173.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.44 51.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.58 -177.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.38 58.91 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.98 -54.93 3.49 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 155.58 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 p -136.64 15.33 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -53.02 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -47.94 -50.03 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -40.43 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 35' ' ' VAL . . . -66.91 -30.31 75.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -59.3 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -53.3 36.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' CG2' ' HA2' ' A' ' 32' ' ' GLY . 33.6 m -60.42 -35.89 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.18 -74.07 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 27.3 p -49.1 -29.18 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.9 -61.38 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.21 -51.5 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.33 -80.52 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 3.5 t80 -47.31 -55.58 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.08 -52.78 16.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.92 -37.0 63.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -75.47 -27.96 59.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.23 -53.4 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.82 -23.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -169.05 177.77 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.32 164.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.81 -51.27 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 30.1 mttt -139.93 155.34 47.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 9.9 ttt180 79.13 135.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 164.36 99.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 t -119.54 -52.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -41.83 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 p -41.3 -53.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -47.49 -49.73 25.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.24 71.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -26.58 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -74.06 -48.84 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.93 98.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.62 -53.29 58.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.39 -46.11 87.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -50.07 -54.51 19.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 p -55.8 -29.9 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.432 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.21 -30.5 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ttt -86.96 -61.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 118.34 75.83 0.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 1.7 p -161.41 115.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -35.69 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 177.25 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.72 175.05 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.2 OUTLIER 168.41 -54.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -163.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 -145.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 41.73 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.4 mm 66.9 -91.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.5 165.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.36 17.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.83 -49.3 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.33 -53.99 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.37 -49.57 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.4 t -55.88 -40.66 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -50.18 12.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mt -55.88 -39.46 71.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.11 19.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -41.43 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -44.19 89.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.3 mtt -56.49 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 tp -50.24 -47.33 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.64 -39.2 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -72.22 -29.82 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -44.89 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' LEU . 41.5 t -89.0 -45.05 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -40.34 -29.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -40.15 -35.37 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -54.09 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.486 0.184 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.73 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 63.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 tt -136.02 152.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.41 105.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 83.0 t80 -70.98 -51.54 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.13 -58.27 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -47.75 -48.59 29.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -38.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.22 -29.59 67.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.08 -52.63 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.6 -59.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 41.7 m -42.16 -55.64 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -49.53 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -63.28 -73.6 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.69 -52.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -49.64 -52.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -31.59 62.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . -80.35 -24.84 58.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 49.24 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.1 102.27 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.62 82.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.18 -48.99 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.86 -118.46 0.76 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' VAL . . . 92.24 91.26 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 163.49 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.95 -170.75 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 -37.19 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.74 -51.53 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.7 mt -48.42 -50.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.13 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.61 -29.89 74.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -45.86 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.22 -51.62 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.01 -41.34 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.02 -47.57 72.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.5 m -61.37 -61.68 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . 7.4 tt -38.42 -45.55 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.31 -66.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.57 -75.46 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -38.79 -55.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -51.58 -54.1 26.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.46 -31.15 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -82.94 -33.2 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -74.88 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 74.6 t -68.9 91.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.9 m 77.92 173.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.81 156.68 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ARG . 33.9 t70 -175.93 59.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 67.14 -75.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.7 mtt180 -177.66 -69.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 16.0 t70 175.89 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -141.8 -67.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -43.51 64.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -42.74 -51.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -49.37 -47.82 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.14 -38.16 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -75.13 -21.65 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -76.44 -43.46 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -76.5 -32.82 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 9.6 t80 -66.7 -53.26 35.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.434 ' CD2' HD11 ' A' ' 66' ' ' ILE . 4.8 t80 -68.07 -50.37 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.31 -57.29 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.36 -51.26 56.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 m -55.5 -30.67 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' A' ' 62' ' ' PHE . 63.0 mt -76.72 -30.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -58.33 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.43 146.43 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 2.5 p -144.72 56.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -54.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -91.59 88.69 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 11.4 tmtt? -98.41 -77.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 3.6 ptt180 -64.07 121.9 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.33 172.93 3.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 44.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.53 158.91 43.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 78' ' ' MET . 1.1 pt -105.23 123.22 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER 165.2 -52.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.03 -55.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.19 81.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.53 -51.42 3.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -50.3 33.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.57 -36.76 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.83 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.03 -49.49 16.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 87' ' ' SER . 1.1 tt -56.95 -46.86 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -60.0 -56.6 19.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -48.23 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.0 -45.79 92.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -60.94 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.34 -47.82 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -32.39 60.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -37.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -42.79 -47.68 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.22 -36.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.66 -51.32 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.478 0.18 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.22 118.66 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -172.1 117.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -112.24 156.31 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.09 129.82 1.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.5 m-85 -72.23 -54.58 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.18 -56.84 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.07 -49.37 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.85 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -29.59 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -62.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -48.93 -43.44 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -60.76 -65.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.1 t80 -41.52 -38.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -67.44 -64.91 2.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.09 -61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' PHE . 2.2 pp -49.7 -45.41 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' N ' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -52.07 -40.01 60.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.39 -21.94 63.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -76.11 66.03 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.56 -62.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.23 107.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 103.12 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.45 -137.44 4.85 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 27' ' ' PRO . 7.7 p -54.67 141.1 56.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 86.71 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.03 -62.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.36 -50.18 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.31 66.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.71 -29.84 70.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -46.28 63.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.4 t -65.06 -74.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -38.11 -35.84 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' LEU . 11.0 m -63.1 -68.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -40.4 -36.55 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -67.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -68.17 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -41.92 -56.35 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.38 -54.18 17.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.84 -31.77 50.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -77.26 -30.57 54.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.02 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t 48.76 78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -140.13 -60.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -89.99 -58.01 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -119.45 155.69 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -140.55 60.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.46 82.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.23 163.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 t 74.35 -70.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -45.36 -48.15 13.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -41.15 -57.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -46.82 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -42.71 68.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.36 -26.04 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.4 m -74.42 -40.94 61.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -70.6 -39.58 73.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.77 -53.47 53.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.58 -65.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.74 -55.44 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.9 -49.9 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -55.12 -30.12 59.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.2 mt -79.3 -29.9 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -60.04 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.49 -132.88 2.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.7 m -135.81 -50.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -103.84 39.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 46.93 39.54 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? 62.55 -173.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.86 124.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.28 -175.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -168.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.24 179.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.0 28.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.499 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -74.26 -51.23 4.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.06 -47.92 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.531 1.806 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.69 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.31 -52.17 3.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -48.25 -50.41 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.84 -37.92 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.97 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.32 -55.82 8.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.51 -45.16 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -57.61 -56.07 26.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.87 -42.26 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -48.62 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.0 ttp -52.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -46.9 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.0 tp -52.28 -40.39 61.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -71.59 -29.78 65.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.86 -47.18 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 -41.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' LEU . 8.9 tp -45.16 -31.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -38.7 9.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -37.97 79.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LEU . 2.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.489 0.185 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 54.17 91.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.93 93.48 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tt -157.03 101.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.03 66.01 3.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.5 t80 -64.09 -57.26 10.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.766 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.29 -56.14 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.31 -49.69 33.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.9 69.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -29.57 66.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -48.91 55.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.04 -49.29 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -53.67 -57.33 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.42 -58.29 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.95 -67.31 2.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.17 -58.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.989 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 17' ' ' ILE . 1.4 mp -48.04 -47.15 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -54.64 -39.37 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.16 -19.62 71.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.3 t80 39.07 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 97.79 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 67.57 103.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -153.44 138.22 17.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.01 167.64 11.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PRO . . . 172.79 -83.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' GLY . 35.5 m -38.88 99.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.01 70.16 5.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -175.89 -67.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.14 -51.43 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -50.0 -49.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.05 -36.63 65.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.08 -29.6 68.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -77.96 -34.74 50.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.724 . . . . 0.0 109.256 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.3 -45.89 68.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 p -68.83 -47.13 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.13 61.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.96 -58.12 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.48 -46.26 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.74 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.7 m-85 -42.22 -53.21 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.67 -61.95 4.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . -53.02 -27.85 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -69.98 -38.24 76.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.09 -36.24 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 18.9 m -119.38 -146.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -174.99 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.0 -84.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' SER . 7.9 t70 -169.1 76.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.94 164.17 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -177.67 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 3.3 t0 -128.66 50.39 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 95.4 t -153.62 -67.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -34.16 73.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -51.89 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -34.01 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.93 -29.04 63.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -72.67 -51.65 18.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 59' ' ' THR . . . -60.37 -47.69 84.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CE2' ' NH1' ' A' ' 70' ' ' ARG . 4.4 t80 -56.14 -52.11 65.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 66' ' ' ILE . 9.2 t80 -63.75 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -67.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.17 -49.69 41.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 m -53.04 -37.28 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.559 HD12 ' CD2' ' A' ' 62' ' ' PHE . 51.4 mt -74.0 -29.91 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.2 ttm -77.47 -66.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.22 -111.02 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -135.66 170.42 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.573 ' NH1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tpm_? -57.98 -57.37 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.7 m-85 -37.93 137.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.99 130.59 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.07 100.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 t -177.95 175.01 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -120.96 136.61 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 68.74 -67.17 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' LYS . 80.8 mt -79.33 75.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -169.32 140.28 1.88 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.27 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.52 -54.3 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.6 -50.7 2.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -54.56 6.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.28 -39.11 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.97 -29.96 71.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.21 -56.82 6.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.67 -46.45 49.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.63 -39.52 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -62.8 -51.81 65.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.52 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.56 -56.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -29.9 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -35.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.91 -70.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 55.4 t -52.44 -47.77 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -40.57 -35.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.99 -48.93 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -57.37 -48.8 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.492 0.187 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -127.91 144.24 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.06 125.83 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.61 40.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.7 144.27 10.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 30.2 t80 -89.73 -54.18 4.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -36.89 -57.69 1.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -50.01 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.19 -39.27 72.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.03 -30.39 70.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.78 -55.7 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.4 -54.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' PHE . 3.6 m -53.64 -59.9 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -37.56 -53.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -64.94 -59.82 7.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -39.56 -61.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -53.75 -42.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -51.55 -36.71 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.04 -19.34 47.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 33.9 t80 47.71 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -107.41 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -162.87 124.78 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -170.75 147.99 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.9 -129.6 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.12 60.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 76.5 t 63.09 142.94 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.07 64.3 6.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -178.72 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -51.39 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 tp -49.99 -49.81 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.04 -36.52 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.02 -29.64 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.92 -40.0 63.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.75 -50.66 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.99 -52.41 31.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 t -57.52 -57.66 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.4 -47.63 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.86 -58.68 7.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.67 -76.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -37.26 -59.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.54 -58.0 7.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -53.1 -30.12 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 1.4 t80 -72.03 -36.0 69.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -43.98 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 p 174.95 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -67.61 74.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER 165.39 116.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.75 -37.71 85.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -88.55 157.86 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER 170.56 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.248 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -53.07 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LYS . 12.6 p -175.44 -38.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -36.55 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG11 ' CB ' ' A' ' 43' ' ' ALA . 6.6 m -41.76 -58.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -48.31 -45.21 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.59 -42.04 70.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.24 -23.31 60.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -74.49 -46.68 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' HD13 ' A' ' 86' ' ' LEU . . . -70.53 -37.75 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -63.51 -48.41 77.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.25 -46.33 87.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -57.57 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.25 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.35 -29.95 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.37 -61.27 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PHE . 99.1 t -129.46 139.86 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LYS . 1.3 mtp-105 -63.22 78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER 65.21 -72.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -173.28 48.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.02 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -178.64 179.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -132.7 68.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 46.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' MET . 3.0 mp 47.44 86.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 3.5 mtt 164.54 -52.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.98 -69.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.47 -43.32 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.07 3.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -49.7 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.11 -37.35 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.83 -29.86 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.77 34.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 60' ' ' ALA . 27.0 mt -59.4 -49.93 75.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -55.8 -52.02 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -47.14 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -49.75 69.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.11 -56.18 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.54 -53.41 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -29.86 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -30.63 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.15 -42.14 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.8 t -80.22 -48.03 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.46 -35.04 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -45.49 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.83 -47.99 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.446 0.165 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.04 -55.77 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.95 135.16 54.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 tp -161.24 127.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.69 -177.77 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.48 -58.26 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -36.79 -56.37 1.32 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.23 -50.67 20.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.24 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.97 -54.98 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -52.81 -61.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -45.69 -49.3 14.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -49.97 -50.22 47.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -68.44 -61.67 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.28 -59.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 18' ' ' PHE . 1.6 tp -55.01 -43.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.451 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -53.93 -33.21 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.3 -19.61 45.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 51.08 99.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 -176.52 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.92 -73.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 164.04 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.8 -43.43 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' ' CG2' ' A' ' 26' ' ' VAL . . . 75.84 -155.41 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG2' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER 40.48 87.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.801 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.82 42.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.81 -57.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.85 -48.65 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.09 -52.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.29 69.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.89 75.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -78.08 -34.96 49.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.06 -57.43 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.04 -50.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.4 24.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 40.5 t -57.23 -43.94 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -46.32 -64.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -59.54 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -36.26 -78.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 32.0 t80 -36.87 -57.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.736 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.17 -54.62 8.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.92 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -72.97 -29.76 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 6.0 tpt180 -80.43 -65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 175.65 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 71.49 -169.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 9.7 m-80 71.62 81.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.468 ' CB ' HG13 ' A' ' 55' ' ' VAL . 1.7 m-20 77.39 -58.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 76.45 62.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 137.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -121.81 68.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -179.27 -40.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.92 -45.96 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' A' ' 49' ' ' ASP . 12.7 m -41.67 -51.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.5 m -47.35 -50.42 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -38.34 74.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.66 -24.78 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -74.24 -49.8 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.69 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.37 -54.02 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -60.04 -32.18 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB1' ' CG1' ' A' ' 69' ' ' VAL . . . -49.51 -54.28 18.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.8 p -56.14 -30.89 62.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 62' ' ' PHE . 15.4 mt -75.04 -30.01 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -66.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.59 41.58 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.457 ' CG1' ' HB1' ' A' ' 64' ' ' ALA . 2.2 p -101.14 108.75 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.45 83.53 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 39.96 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.52 127.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -55.82 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -86.89 161.27 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -45.28 38.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 176.59 168.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' MET . 4.3 mm 72.19 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.473 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 2.4 mtm 164.91 -52.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.94 -40.22 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.02 -39.88 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.59 -57.25 1.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -49.03 -48.5 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.03 -37.93 57.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.59 69.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.46 -60.09 4.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.9 tp -52.49 -44.82 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -54.39 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -50.87 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.01 -53.41 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.72 -56.76 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 mt -53.52 -49.18 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.35 -29.92 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -81.2 -29.79 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.42 -34.07 73.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 96' ' ' LEU . 33.9 m -81.38 -31.64 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -52.97 -47.72 67.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.64 -61.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.65 -57.43 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.454 0.169 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 172.8 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.27 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' CD1' ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER 176.63 -38.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.05 115.29 2.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 17.2 t80 -82.8 -57.04 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.27 -55.48 1.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.72 -49.84 36.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.08 69.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 14' ' ' PHE . . . -70.81 -29.61 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -51.71 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.58 -57.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.9 m -47.3 -66.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 30.6 t80 -51.02 -55.22 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -47.36 -75.75 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -39.18 -50.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.947 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 21' ' ' LYS . 69.7 mt -49.17 -54.08 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -29.9 64.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.32 62.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 177.88 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -39.35 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ARG . 6.0 ptt180 176.38 59.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.02 142.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -56.27 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.04 155.14 7.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -76.1 -51.68 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.753 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.95 112.21 3.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER 159.52 -179.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.36 -43.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.7 mm -47.33 -57.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.22 -32.16 68.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -30.56 75.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -37.21 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.07 -53.27 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.49 -52.6 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.48 -47.87 35.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.6 t -65.07 -40.88 95.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tt -48.15 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -57.25 -66.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ALA . . . -36.91 -71.91 0.17 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 44' ' ' TYR . 31.8 t80 -39.07 -53.3 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.08 -52.8 37.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.17 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -83.76 -28.83 27.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' C ' ' CG1' ' A' ' 46' ' ' VAL . 1.3 ttp180 -45.83 -53.92 8.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.465 ' CG1' ' C ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 166.0 76.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.11 -67.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -149.97 112.09 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.3 -56.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.01 -59.12 0.57 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -149.65 109.9 4.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.05 95.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -178.66 -39.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.13 -40.25 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.0 t -41.94 -58.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -44.47 43.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.28 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.86 -23.13 58.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -72.59 -55.19 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.59 87.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.88 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 66' ' ' ILE . 49.5 t80 -61.87 -36.71 82.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.65 -61.69 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.99 -51.33 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -54.62 -29.84 53.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.477 HG13 ' CE2' ' A' ' 62' ' ' PHE . 10.5 mm -81.06 -29.81 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -62.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.23 140.92 7.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t 70.57 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.612 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 44.8 p90 -71.39 107.18 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -54.65 -43.67 72.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' LYS . 3.5 ttt180 38.3 62.76 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.03 100.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tttt 40.65 89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 110.15 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 tt -176.37 -64.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.478 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -80.06 -52.69 1.0 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.06 -44.93 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -58.24 -46.51 85.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 80' ' ' ALA . . . -35.47 -44.62 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.32 -60.17 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 22.9 m -59.06 -28.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -66.74 -34.06 77.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.02 -51.95 8.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -48.55 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -60.61 -53.24 59.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -48.68 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 tpp -56.78 -57.02 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -49.3 -55.27 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.5 mt -48.22 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -29.71 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -65.37 -41.91 93.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.32 -38.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -36.39 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 tt -39.96 -44.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -47.15 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.7 -50.65 32.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -33.99 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.62 -29.64 66.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.06 -61.91 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.12 -39.51 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -59.35 -53.1 62.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.57 -53.95 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.45 -69.04 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 p -41.25 -54.33 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 17' ' ' ILE . 15.1 mm -48.44 -48.75 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.3 -36.2 70.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.05 -19.78 74.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' ILE . 46.1 m-85 38.72 91.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.58 53.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 -56.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.48 172.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.19 65.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.94 -42.5 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 26' ' ' VAL . 41.0 t 50.41 64.5 8.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.02 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.441 1.758 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t 176.06 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -41.89 -47.1 4.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 26' ' ' VAL . 1.2 tp -50.37 -52.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.52 -31.7 66.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.98 -29.65 66.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -44.01 56.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.57 -52.37 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.6 t -60.36 -59.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -51.62 -39.82 46.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.68 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 mt -41.48 -40.46 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.32 -68.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.74 -67.62 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -38.08 -58.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.24 -51.89 29.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' A' ' 55' ' ' VAL . . . -54.01 -32.2 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -77.15 -29.97 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.98 89.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.7 t 66.95 78.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -123.92 -48.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.73 -50.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -45.55 -45.0 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 43' ' ' ALA . 8.8 m -42.02 -57.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 55' ' ' VAL . 41.5 m -47.94 -45.82 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -41.93 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.72 -22.77 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 m -73.31 -48.29 35.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.27 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.51 -47.07 87.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 82' ' ' LEU . 1.6 tp -55.35 -59.44 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.29 -50.31 59.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -55.11 -31.51 61.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.93 -29.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -53.9 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.47 -50.3 62.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -50.07 3.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -49.59 -50.72 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.35 -34.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.29 -29.78 68.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.27 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.698 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.8 tm? -56.04 -45.48 79.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -54.47 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -39.17 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -54.55 41.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -53.64 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mt -51.89 -52.84 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -29.95 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -74.75 -32.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -36.41 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.6 t -88.13 -38.54 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tt -48.79 -43.38 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.83 -51.25 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 98' ' ' LEU . 8.3 tt -65.33 -57.14 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.68 -50.28 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.56 69.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.74 -29.57 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -51.69 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.61 -59.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 17' ' ' ILE . 3.4 m -44.2 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.85 -49.05 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -54.11 -79.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' HG ' ' HH ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -38.92 -48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.548 HD12 HG22 ' A' ' 13' ' ' THR . 39.6 mt -48.04 -55.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.63 -29.96 66.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 -26.91 68.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 21' ' ' LYS . 34.6 p90 177.87 -49.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' N ' ' CD2' ' A' ' 20' ' ' TYR . 9.8 tptt 178.01 -151.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -118.93 -45.14 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 -46.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.3 -149.74 9.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.7 133.05 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 34.0 m -47.45 147.71 2.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -179.72 5.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.571 1.827 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t 74.73 -66.7 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.87 -49.02 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -49.63 -51.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.22 67.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.04 -29.87 70.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.82 -44.78 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.69 -49.03 78.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.25 -45.26 98.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.43 -39.57 90.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.8 t -70.65 -62.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -40.06 -48.0 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 55' ' ' VAL . . . -57.76 -59.23 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -78.63 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -40.97 -57.04 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -52.55 -51.97 40.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -52.72 -29.73 28.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -29.73 25.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -71.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLY . 98.6 t -51.74 -33.97 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 103.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 178.6 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' VAL . 8.1 tptt -76.87 -54.34 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.527 HG22 ' HB1' ' A' ' 39' ' ' ALA . 7.6 p -40.45 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 55' ' ' VAL . 66.1 m -48.47 -52.55 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.61 -34.93 67.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.13 -29.07 65.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 12.5 m -73.63 -47.04 43.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.942 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.49 -36.04 82.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -64.86 -65.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -41.26 81.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.3 tp -55.31 -61.88 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.42 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.4 m -54.79 -33.02 60.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.73 -29.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -77.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.627 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.89 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.85 -53.38 3.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.942 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -49.4 -48.48 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 79' ' ' PRO . 98.7 t -56.8 -37.68 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.61 -29.84 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.95 -55.04 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -41.46 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -48.48 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -49.2 78.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -49.99 -60.73 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.05 -47.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -37.39 61.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 4.2 mtp85 -73.45 -29.95 62.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt -44.3 -62.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.18 -39.79 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.2 tm? -40.68 -37.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.2 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -49.38 75.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -48.32 -49.58 33.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -36.34 69.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.59 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -57.25 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' SER . 17.9 m -60.2 -33.89 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.9 m -60.7 -55.25 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -59.61 -59.71 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.23 -67.42 2.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 14.6 t -41.3 -51.57 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 13' ' ' THR . 29.9 mt -48.58 -50.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.0 -33.51 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.71 74.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 38.73 92.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.75 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.37 15.49 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.38 165.65 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -98.51 164.49 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.4 -112.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -177.07 -59.52 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' GLY . 93.3 t -40.23 100.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.33 4.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.597 ' OG ' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -171.87 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.11 -48.9 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.6 mm -49.58 -51.63 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.63 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.05 -29.78 70.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.7 -46.13 39.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -39.38 94.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -68.52 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -48.07 -48.68 25.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 63.1 m -56.95 -60.65 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 44.2 tp -40.55 -42.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' CG1' ' A' ' 55' ' ' VAL . . . -61.12 -71.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.36 -72.44 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.32 -54.07 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.39 -55.17 13.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -29.87 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.21 -30.79 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -58.5 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLY . 57.1 t -70.99 -65.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 t 79.05 143.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 174.08 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 53' ' ' VAL . 14.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.37 -44.54 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 49.5 t -42.23 -55.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -46.42 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.25 -39.59 72.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.24 -22.25 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -76.16 -41.57 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.38 -46.85 53.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.25 -50.19 74.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 66' ' ' ILE . 30.3 t80 -61.59 -58.99 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.31 -55.71 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.51 60.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -55.11 -30.64 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 62' ' ' PHE . 10.9 mm -77.83 -30.12 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -56.71 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.994 -0.426 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.8 -58.64 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.78 -50.84 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.597 HD11 ' OG ' ' A' ' 28' ' ' SER . 5.3 mt -44.12 -55.66 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.61 -39.83 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -61.86 -31.16 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.4 -61.23 3.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -45.76 -45.67 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -61.3 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mp -43.72 -49.06 8.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmm -51.47 -59.4 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 mtt -46.81 -53.77 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.7 mt -48.91 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.72 -29.92 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -67.21 -39.83 86.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -46.56 8.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.55 -48.62 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -41.64 -34.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.39 -50.85 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.3 -46.34 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CB ' HD13 ' A' ' 96' ' ' LEU . 3.5 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -48.91 -49.5 39.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 0.785 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -35.44 68.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -29.76 65.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.76 -55.19 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.07 -59.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 7.8 m -42.63 -51.84 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -54.04 -52.68 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.09 -69.86 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -41.0 -55.9 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -48.23 -48.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -37.6 70.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.26 -19.64 73.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 47.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.779 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.0 58.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.32 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.0 137.22 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.93 103.83 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -157.67 -89.41 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -39.41 99.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.4 Cg_endo -74.98 78.84 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.2 m -176.05 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.66 -56.27 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -48.01 -47.89 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.6 73.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -46.73 67.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.83 -36.32 82.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' ALA . 72.2 t -62.81 -65.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -50.22 -43.03 42.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.82 -65.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -39.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.63 -68.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.33 -70.22 1.06 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -42.97 -57.03 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.93 -53.27 23.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.71 49.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.36 -30.02 47.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -53.86 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.96 60.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -57.63 161.11 3.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -179.29 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 26.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.52 -45.87 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 56' ' ' SER . 3.9 p -42.27 -56.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG13 ' A' ' 55' ' ' VAL . 1.1 t -48.57 -45.27 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -41.42 73.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.09 -21.85 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.41 ' CG2' HG12 ' A' ' 35' ' ' VAL . 6.2 m -74.28 -52.91 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.461 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.85 69.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.9 -52.96 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD2' HD11 ' A' ' 66' ' ' ILE . 12.2 t80 -63.2 -45.17 92.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -54.23 -58.64 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.89 58.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -55.36 -31.51 61.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.914 HD11 ' CD2' ' A' ' 62' ' ' PHE . 18.6 mt -76.08 -29.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -54.79 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' GLY . . . -70.4 -39.94 74.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.45 -49.05 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -56.55 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 0.776 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.91 -36.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.14 -31.66 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.49 -53.2 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -50.1 -44.02 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -63.87 -56.06 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -44.63 -39.9 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -50.33 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.2 pp -52.06 -48.74 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -54.01 -34.1 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -75.87 -29.91 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.62 -51.4 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.26 -42.05 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.8 -35.63 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -40.86 2.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -47.16 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.38 -48.55 36.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 0.711 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.35 68.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -29.49 65.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.94 -56.17 10.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.97 -50.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.5 m -49.68 -60.85 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 1.7 t80 -50.91 -43.09 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.39 -76.01 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -51.35 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mm -50.03 -51.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -58.27 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' TYR . . . -81.54 -21.39 62.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 36.52 61.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 -62.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 85.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.83 168.56 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.16 -109.27 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 26' ' ' VAL . 14.3 p -138.58 69.98 45.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.07 -176.16 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 28.7 t -59.76 -47.76 84.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tp -41.74 -53.86 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 17.9 mm -49.67 -48.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.6 -38.65 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.06 -29.6 68.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.68 -38.98 67.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.28 -58.1 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 31' ' ' ALA . 9.9 p -55.27 -51.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -52.46 -58.42 11.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -50.63 -45.74 57.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -60.26 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.13 -69.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.27 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.9 t80 -38.67 -53.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.22 -60.72 4.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.16 -29.56 60.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -67.95 -34.23 76.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.7 mtm180 -45.93 -49.13 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER 164.41 -46.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.2 p -60.09 167.93 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.23 108.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 90' ' ' MET . 10.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -65.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -41.64 -53.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -48.17 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.93 -36.39 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.97 -25.61 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.7 m -70.74 -49.79 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -71.18 -36.03 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.68 -49.66 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.8 -42.88 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -59.89 4.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.0 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -55.4 -30.49 60.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 11.8 mm -78.13 -29.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -65.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.64 -54.9 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.36 -53.03 3.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 mt -48.38 -49.58 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 0.796 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.0 t -56.69 -38.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.24 -29.79 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.14 -47.9 34.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm? -59.75 -45.58 91.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -55.37 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -50.47 -40.41 50.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -51.18 70.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.71 ' HG2' HG13 ' A' ' 53' ' ' VAL . 18.3 mtt -54.42 -56.24 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.1 mt -51.04 -54.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.61 -29.88 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.75 -32.46 65.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.75 87.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.91 -36.06 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -46.35 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -56.15 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -54.4 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -47.37 -50.18 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 13' ' ' THR . . . -56.94 -37.1 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.14 -29.86 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -45.82 48.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.22 -55.34 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 14' ' ' PHE . 4.1 t -56.4 -50.33 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' N ' HG23 ' A' ' 13' ' ' THR . 0.4 OUTLIER -45.78 -63.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -56.99 -61.56 7.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -38.68 -64.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.74 -45.45 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.3 t80 -51.06 -44.01 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -19.46 69.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.2 t80 50.73 102.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -142.89 65.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 72.48 95.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -60.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 -97.59 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.3 -131.79 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 26' ' ' VAL . 27.6 m -128.2 91.81 43.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p 179.63 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.0 -50.65 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.33 -50.19 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.69 -35.06 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.66 -29.71 67.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -44.57 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.45 -44.27 91.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.69 -58.54 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.86 -42.49 38.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -40.61 -43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.04 -75.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.34 -71.64 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.52 -50.13 19.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.17 -39.84 57.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -73.76 -29.66 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -49.58 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 47' ' ' SER . 16.6 m -80.05 -51.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 39.32 79.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.0 -48.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -43.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 56' ' ' SER . 33.3 m -43.25 -54.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 55' ' ' VAL . 7.9 t -49.42 -45.63 46.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -39.15 75.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -76.22 -19.65 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.2 m -77.47 -40.82 41.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.27 -39.38 48.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.48 -48.49 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -67.44 -49.01 65.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.37 -57.77 8.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.37 -50.31 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -55.25 -30.14 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mm -78.55 -29.97 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mmt -68.27 -35.53 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.87 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.56 -51.26 3.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -50.15 40.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.72 -35.77 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.52 -54.57 8.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.67 -41.29 77.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HD12 ' A' ' 91' ' ' ILE . 7.7 t -59.88 -57.78 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 -44.08 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 tpp -57.21 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -56.2 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 87' ' ' SER . 3.1 mt -48.63 -62.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.76 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -66.11 -43.33 87.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.42 -32.93 28.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.5 t -86.02 -44.47 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -47.43 -41.5 20.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -40.53 -56.43 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 96' ' ' LEU . 13.0 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.29 -49.28 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.62 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.57 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.93 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.58 -48.27 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -51.64 -66.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -39.11 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.84 -72.86 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -41.2 -50.61 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.27 -51.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.57 -32.86 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.17 -19.94 76.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.9 t80 178.93 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.45 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 -61.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 179.99 119.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.89 136.2 4.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.96 -113.47 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.7 p -150.2 65.17 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.99 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 45.8 p -70.95 -52.41 20.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -41.51 -54.62 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.38 -49.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.23 -40.64 64.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.69 72.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.175 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.09 -47.0 48.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.11 -56.06 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' ALA . 11.1 p -56.91 -54.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -51.97 -33.03 35.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.9 t -66.68 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.2 tp -40.28 -44.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.54 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -52.81 -68.62 1.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -36.3 -56.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.741 . . . . 0.0 110.985 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.94 -53.95 20.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.59 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -78.52 -29.93 46.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -70.56 -32.67 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t 67.75 71.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -132.6 22.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.05 -175.17 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.619 ' O ' HG12 ' A' ' 53' ' ' VAL . 58.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -87.44 -50.77 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 59' ' ' THR . 50.1 t -39.78 -49.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -53.77 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.08 -33.64 65.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -32.22 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 55' ' ' VAL . 16.5 p -78.57 -36.1 44.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -68.2 -38.58 82.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -70.86 -55.62 8.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' THR . 7.3 tt -60.42 -56.37 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' MET . . . -47.09 -61.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -54.54 -29.18 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 64' ' ' ALA . 13.6 ptt? -90.08 -29.57 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 67' ' ' MET . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.952 -0.441 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.96 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -52.59 3.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.0 mt -50.12 -48.75 53.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -36.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.38 -29.72 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.59 -50.64 14.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt -60.37 -41.45 93.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.17 -52.92 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.15 -46.49 89.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -56.55 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.2 mm -51.65 -53.38 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -29.97 59.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -31.89 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.89 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.1 t -46.65 -42.72 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.19 -38.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -45.65 -48.61 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -40.21 76.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -48.38 -49.84 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.74 69.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.77 66.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -59.01 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -54.01 -46.72 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' PHE . 27.5 m -54.5 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.1 t80 -37.32 -43.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -77.35 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.0 m -39.62 -50.5 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' O ' ' A' ' 13' ' ' THR . 1.6 mp -48.75 -53.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.84 -30.52 67.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.05 -24.33 69.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -68.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 179.55 174.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.77 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.34 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.63 96.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.36 -72.15 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.91 106.25 36.86 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -178.15 -62.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' ILE . 3.9 pp -42.1 -48.18 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 29' ' ' LEU . 32.6 mm -49.55 -52.02 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.71 70.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -37.18 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.03 -42.04 81.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.6 p -69.87 -47.54 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -58.05 -50.19 68.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.74 -65.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.68 -41.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.02 -67.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -71.07 0.82 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -61.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -48.62 -50.28 25.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.69 50.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -32.99 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 42' ' ' GLY . 8.3 p -98.47 44.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.66 -179.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -132.99 55.49 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -42.17 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 56' ' ' SER . 19.1 m -42.51 -52.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 55' ' ' VAL . 3.6 m -48.86 -48.09 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -37.43 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 32.5 t80 -73.73 -22.32 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -76.46 -45.07 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.56 -48.33 64.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.84 -52.42 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 46.2 t80 -63.66 -37.63 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 66' ' ' ILE . 10.1 tp -58.26 -71.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -45.83 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -50.57 -47.02 58.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.5 tt -67.14 -29.36 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.27 84.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.946 -0.444 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.86 -54.88 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -48.89 -50.2 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.04 -36.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.97 -29.76 69.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.05 -58.76 5.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.69 -42.07 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -60.68 -53.51 56.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.47 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -53.52 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -55.77 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.8 mm -50.73 -55.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -29.89 53.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -35.04 71.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -48.03 83.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.4 -46.67 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.69 -29.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 tt -41.09 -42.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -44.87 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 12' ' ' VAL . 25.8 t80 -48.04 -48.37 33.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -55.63 -38.16 69.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.53 66.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -73.11 -64.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 8' ' ' TYR . 7.0 p -52.7 -33.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 2.4 m -64.67 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.43 -65.75 3.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 47.7 t -38.85 -63.84 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 mm -46.11 -46.17 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.5 t80 -51.46 -44.29 62.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.84 -19.63 72.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 112.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -142.91 63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 63.62 113.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.59 165.58 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.06 153.5 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.54 31.39 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.4 p -164.75 83.76 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.44 3.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -168.48 -72.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.91 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' ALA . 1.8 tt -50.37 -52.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.887 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -57.36 -32.17 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.89 -29.58 66.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -76.43 -38.37 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -54.35 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' ALA . 30.5 m -69.33 -35.19 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.51 -29.87 71.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 3.9 m -79.35 -41.18 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -60.09 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -62.43 -45.47 92.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.09 -79.67 0.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 11.7 t80 -42.83 -54.78 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -52.83 -51.5 44.72 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.03 -31.91 43.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -83.0 -28.76 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -59.24 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 42' ' ' GLY . 14.2 m -51.33 -32.91 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.1 p -164.53 179.73 6.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 53.72 90.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 67.3 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' VAL . 65.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 56' ' ' SER . 16.4 m -40.65 -52.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -47.89 -51.0 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -37.81 68.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.83 -29.08 67.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 m -74.34 -45.09 49.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -64.16 -39.78 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.96 -49.54 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.914 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 t80 -59.25 -42.35 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -59.01 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.63 -55.42 13.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.74 -30.0 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.419 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.914 HD12 ' O ' ' A' ' 62' ' ' PHE . 1.1 mt -72.86 -32.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 tpt -85.55 -68.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.03 4.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.68 -50.06 4.01 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.91 -50.46 46.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.45 -34.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.84 -29.76 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.27 -50.64 8.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 60' ' ' ALA . 2.0 tm? -57.56 -42.96 84.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -56.79 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tp -44.03 -44.78 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -56.34 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 ttm -50.46 -53.28 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mm -50.89 -55.83 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -53.89 -29.92 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.2 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.4 m -49.78 -39.18 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.04 -51.34 3.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 tp -40.53 -50.44 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -60.25 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.64 -49.97 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -57.1 -35.22 69.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.6 65.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -67.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -50.38 -44.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 12.1 m -53.78 -69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -45.17 -38.81 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.57 -80.93 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.13 -50.07 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mm -48.31 -53.1 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.91 -31.5 68.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.01 -23.05 72.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.34 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -173.19 -161.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -110.29 -48.41 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 163.62 108.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.7 -142.81 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.34 59.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 27' ' ' PRO . 70.6 t 63.87 142.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.88 -61.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.9 -50.38 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -48.84 -51.17 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.62 -36.82 67.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.79 -29.78 72.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.97 13.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.97 -46.56 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 59' ' ' THR . 17.1 t -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -44.45 -42.21 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.14 -40.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.69 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.67 -67.05 2.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -37.27 -58.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.5 -51.01 45.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -30.56 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.653 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-85 -84.06 -29.43 26.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -32.35 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TYR . 40.4 t 66.69 52.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 p -108.8 -43.27 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -86.09 -26.52 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.27 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -77.4 -36.19 53.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -42.03 -56.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -47.4 -46.46 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.17 -42.55 73.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.28 -23.09 61.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -73.59 -51.68 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -62.94 -49.23 75.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -55.61 -51.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.99 -36.99 85.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.12 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.65 -44.31 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -48.91 -48.16 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.957 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.3 tt -70.9 -28.44 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.5 ttt -61.7 -47.21 86.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.33 -52.87 33.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.55 -50.48 3.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -49.94 -50.33 46.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.17 -34.15 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.26 -29.78 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.5 -46.04 34.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -62.48 -44.54 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.08 -46.24 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -50.13 68.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.02 -54.99 35.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.59 -58.76 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -29.85 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.31 -38.67 81.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -51.95 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.26 -30.53 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.419 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -51.84 -37.86 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.0 mt -41.45 -45.85 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -52.93 33.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -47.63 -50.92 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -35.69 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.44 -29.83 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.41 -53.25 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.3 t -53.26 -51.76 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -52.69 -57.66 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -59.06 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.0 -66.04 3.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLY . 7.6 t -38.28 -64.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -45.4 -46.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.8 t80 -50.78 -45.42 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.27 -19.61 74.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.55 107.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -171.9 61.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -179.65 3.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.36 -56.89 0.51 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.26 88.71 1.23 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.65 94.62 33.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.05 150.98 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER 84.91 -65.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 29' ' ' LEU . 6.5 mp -42.1 -52.3 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pp -49.38 -49.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -54.47 -38.08 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.61 70.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -63.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.741 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.61 -46.6 67.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 31' ' ' ALA . 53.9 t -59.69 -70.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -39.99 -48.53 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -54.96 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 6.1 tp -40.49 -37.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.96 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.99 -66.64 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -43.26 -57.4 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.36 -52.25 28.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 -31.55 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.7 -29.89 51.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -66.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.07 -51.52 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t 53.24 102.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 178.71 55.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -40.26 -58.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 56' ' ' SER . 7.4 m -41.23 -59.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.596 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -47.63 -45.62 27.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -43.27 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.8 -24.58 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' CG1' ' A' ' 35' ' ' VAL . 3.1 m -72.92 -50.04 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -66.24 -39.26 89.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' THR . 24.5 t80 -59.67 -56.94 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 m-85 -59.87 -41.98 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 59' ' ' THR . 2.6 mm? -57.41 -76.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.21 -43.09 9.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.4 m -48.12 -49.29 32.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.9 pt -70.8 -28.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -70.77 -55.91 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.905 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -70.31 -39.68 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.12 -44.63 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.91 -60.71 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 80' ' ' ALA . 32.6 m -60.12 -29.54 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -32.76 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.75 -52.41 5.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ALA . 55.4 tp -49.55 -46.99 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -64.84 -59.26 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.26 -43.21 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.0 mtt -63.13 -56.39 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.0 ttm -50.55 -53.26 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -51.31 -54.68 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -29.91 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.65 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -39.7 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.42 -52.23 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -48.29 -33.44 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -43.98 -55.38 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -52.19 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -47.83 -49.7 28.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 13' ' ' THR . . . -56.79 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -69.0 -29.88 68.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -41.72 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -51.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 20.3 p -54.39 -49.81 69.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -56.33 16.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 -68.14 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.14 -58.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 13' ' ' THR . 67.9 mt -48.37 -47.48 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.82 -38.57 67.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.78 -19.69 69.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.58 104.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -165.61 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.25 149.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.27 -58.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.73 -114.06 1.04 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 111.88 96.81 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 162.93 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -175.52 2.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -123.01 25.22 8.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.93 -52.03 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.662 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -48.27 -50.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -54.2 -39.39 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.91 73.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -56.66 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.68 -41.05 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' CG2' ' A' ' 59' ' ' THR . 3.1 t -65.3 -67.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -42.23 -45.61 5.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.16 -66.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -37.63 -43.43 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.06 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.27 -72.21 0.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -39.72 -55.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.98 -54.72 17.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.61 -30.24 41.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -79.15 -31.13 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -69.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLY . 38.4 t -91.47 59.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.2 141.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.48 -46.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 53' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -35.63 60.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 56' ' ' SER . 28.8 m -41.83 -55.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 55' ' ' VAL . 23.1 m -46.99 -47.77 21.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -42.22 73.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -71.77 -23.02 61.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' CG1' ' A' ' 35' ' ' VAL . 2.7 m -75.07 -47.57 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.59 -45.64 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.77 -49.11 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.54 -54.13 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.81 -57.63 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.51 47.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.6 m -54.49 -32.53 58.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 26.1 mm -77.39 -29.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -70.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.533 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.04 -52.99 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.567 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -49.66 -49.5 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 79' ' ' PRO . 76.6 t -56.7 -36.26 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.57 -31.33 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.99 -62.54 3.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.32 -40.7 49.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -60.92 -64.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -40.15 -41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 mtt -63.43 -51.38 65.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -54.96 37.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.67 -58.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.61 -29.86 39.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -37.97 79.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -62.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.93 -43.77 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.09 -34.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -51.34 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -46.76 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -47.9 -49.83 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.54 70.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.6 67.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -46.18 56.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.81 -60.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -51.72 -50.76 59.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.67 -63.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -60.13 -61.83 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.39 -66.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -44.12 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.5 t80 -50.62 -43.22 56.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.76 -19.59 65.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.31 132.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.4 -176.58 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -73.76 -40.94 63.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 6.4 mtp180 159.75 -176.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.01 79.55 0.59 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 26' ' ' VAL . . . 179.33 -63.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 25' ' ' GLY . 5.8 m -151.62 93.53 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.65 10.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 m -99.19 -64.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.08 -50.25 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 31' ' ' ALA . 2.7 pp -49.12 -50.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' N ' HD12 ' A' ' 30' ' ' ILE . . . -55.74 -36.59 67.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.14 -29.67 72.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.36 -40.63 50.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.73 -45.87 87.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.3 p -66.3 -49.67 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.49 -36.75 64.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.157 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -67.91 -61.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.4 tp -39.76 -50.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -55.17 -64.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.61 -78.83 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -39.44 -59.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -50.51 -51.17 33.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.35 -32.46 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -78.77 -29.82 45.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -76.19 -46.7 27.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' GLY . 14.0 p -80.84 -31.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.33 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.39 -43.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -48.35 -49.71 33.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 56.1 t -41.51 -58.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.71 -45.77 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -54.41 -42.73 70.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -72.24 -23.6 61.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -73.87 -61.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -59.56 -40.46 87.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 79.6 t80 -60.2 -51.71 68.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.34 -34.85 79.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -61.52 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.29 -46.54 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -51.43 -41.79 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.76 -29.79 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -60.9 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.444 1.09 . . . . 0.0 110.948 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.89 -57.28 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -39.85 -52.46 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.5 tp -47.44 -50.88 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -56.77 -38.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -64.04 -30.7 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.09 -52.4 14.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 60' ' ' ALA . 1.9 tm? -54.28 -45.06 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.54 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -46.26 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -60.36 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.92 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mm -52.23 -51.35 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.26 -30.22 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -33.64 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.97 -49.7 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -43.18 -39.97 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.06 -51.21 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -46.41 63.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -48.79 -48.95 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.42 68.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.68 65.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -59.34 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -54.78 -52.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -53.3 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -40.94 -37.72 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -65.33 -86.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 36.1 t -38.9 -49.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.802 . . . . 0.0 110.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 17' ' ' ILE . 24.0 mm -48.49 -54.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.26 -30.08 66.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . -77.39 -24.38 65.81 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER 36.36 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -174.93 -173.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.44 51.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.58 -177.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.38 58.91 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.98 -54.93 3.49 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 155.58 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.9 p -136.64 15.33 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -53.02 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -47.94 -50.03 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -53.94 -40.43 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 35' ' ' VAL . . . -66.91 -30.31 75.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -59.3 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -51.19 -53.3 36.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' ALA . 33.6 m -60.42 -35.89 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.18 -74.07 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 27.3 p -49.1 -29.18 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 34' ' ' PHE . 1.2 mt -58.9 -61.38 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.21 -51.5 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.33 -80.52 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 3.5 t80 -47.31 -55.58 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.08 -52.78 16.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.92 -37.0 63.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -75.47 -27.96 59.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.23 -53.4 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.82 -23.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -169.05 177.77 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.32 164.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -41.83 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 56' ' ' SER . 14.2 p -41.3 -53.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 55' ' ' VAL . 3.0 m -47.49 -49.73 25.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.24 71.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -26.58 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -74.06 -48.84 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.93 98.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.62 -53.29 58.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.39 -46.11 87.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -50.07 -54.51 19.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 p -55.8 -29.9 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.432 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.21 -30.5 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ttt -86.96 -61.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.83 -49.3 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.33 -53.99 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.37 -49.57 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.631 ' HA ' HD12 ' A' ' 86' ' ' LEU . 99.4 t -55.88 -40.66 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -50.18 12.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.2 mt -55.88 -39.46 71.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.11 19.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -41.43 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -44.19 89.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.3 mtt -56.49 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 tp -50.24 -47.33 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.64 -39.2 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -72.22 -29.82 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -44.89 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' LEU . 41.5 t -89.0 -45.05 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -40.34 -29.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -40.15 -35.37 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -54.09 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -47.75 -48.59 29.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -38.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.22 -29.59 67.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.08 -52.63 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.6 -59.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 41.7 m -42.16 -55.64 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -49.53 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -63.28 -73.6 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.69 -52.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -49.64 -52.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -31.59 62.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . -80.35 -24.84 58.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 49.24 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.1 102.27 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.62 82.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.18 -48.99 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.86 -118.46 0.76 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 92.24 91.26 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 163.49 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.95 -170.75 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 -37.19 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.74 -51.53 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.7 mt -48.42 -50.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -55.26 -38.13 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.61 -29.89 74.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -72.08 -45.86 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.22 -51.62 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 31' ' ' ALA . 12.1 p -61.01 -41.34 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.02 -47.57 72.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.5 m -61.37 -61.68 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . 7.4 tt -38.42 -45.55 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.589 ' HB1' ' CG2' ' A' ' 55' ' ' VAL . . . -58.31 -66.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.57 -75.46 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -38.79 -55.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -51.58 -54.1 26.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.46 -31.15 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -82.94 -33.2 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -74.88 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 74.6 t -68.9 91.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.9 m 77.92 173.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.81 156.68 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -43.51 64.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.589 ' CG2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -42.74 -51.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -49.37 -47.82 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.14 -38.16 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -75.13 -21.65 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -76.44 -43.46 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -76.5 -32.82 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 9.6 t80 -66.7 -53.26 35.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.07 -50.37 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 82' ' ' LEU . 1.3 tp -55.31 -57.29 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.36 -51.26 56.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 m -55.5 -30.67 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -76.72 -30.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -58.33 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.19 81.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.53 -51.42 3.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -48.63 -50.3 33.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.57 -36.76 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.48 -29.83 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.03 -49.49 16.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.95 -46.86 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -56.6 19.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -48.23 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.0 -45.79 92.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -60.94 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.34 -47.82 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -32.39 60.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -37.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -42.79 -47.68 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.22 -36.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.66 -51.32 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.07 -49.37 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 12' ' ' VAL . . . -56.66 -36.85 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -29.59 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -62.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 9' ' ' ALA . 10.8 p -48.93 -43.44 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -60.76 -65.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.1 t80 -41.52 -38.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -67.44 -64.91 2.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.09 -61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 18' ' ' PHE . 2.2 pp -49.7 -45.41 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.436 ' N ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -52.07 -40.01 60.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.39 -21.94 63.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -76.11 66.03 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.56 -62.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.23 107.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 103.12 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.45 -137.44 4.85 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 27' ' ' PRO . 7.7 p -54.67 141.1 56.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 86.71 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.03 -62.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.36 -50.18 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.31 66.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.71 -29.84 70.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -46.28 63.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 59' ' ' THR . 14.4 t -65.06 -74.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -38.11 -35.84 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' LEU . 11.0 m -63.1 -68.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -40.4 -36.55 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.38 -67.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -68.17 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -41.92 -56.35 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.38 -54.18 17.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.84 -31.77 50.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -77.26 -30.57 54.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.02 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t 48.76 78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -140.13 -60.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -89.99 -58.01 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -45.36 -48.15 13.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 56' ' ' SER . 11.4 m -41.15 -57.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -47.52 -46.82 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -42.71 68.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.36 -26.04 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.77 HG21 HG13 ' A' ' 35' ' ' VAL . 28.4 m -74.42 -40.94 61.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -70.6 -39.58 73.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.77 -53.47 53.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.58 -65.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.833 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -41.74 -55.44 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.9 -49.9 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -55.12 -30.12 59.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 63' ' ' LEU . 10.2 mt -79.3 -29.9 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -60.04 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.69 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.31 -52.17 3.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD12 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -48.25 -50.41 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.84 -37.92 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -30.97 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.32 -55.82 8.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.51 -45.16 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -57.61 -56.07 26.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -46.87 -42.26 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -48.62 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.0 ttp -52.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.64 -46.9 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.0 tp -52.28 -40.39 61.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -71.59 -29.78 65.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.86 -47.18 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 -41.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' LEU . 8.9 tp -45.16 -31.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -38.7 9.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -37.97 79.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LEU . 2.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.31 -49.69 33.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.9 69.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.27 -29.57 66.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -48.91 55.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.04 -49.29 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 17' ' ' ILE . 2.5 m -53.67 -57.33 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.42 -58.29 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.95 -67.31 2.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.17 -58.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.989 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 13' ' ' THR . 1.4 mp -48.04 -47.15 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -54.64 -39.37 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.16 -19.62 71.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.3 t80 39.07 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 97.79 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 67.57 103.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -153.44 138.22 17.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.01 167.64 11.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . 172.79 -83.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.5 m -38.88 99.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.01 70.16 5.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -175.89 -67.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.14 -51.43 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -50.0 -49.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.05 -36.63 65.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.08 -29.6 68.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -77.96 -34.74 50.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.724 . . . . 0.0 109.256 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.3 -45.89 68.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.9 p -68.83 -47.13 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.47 -50.13 61.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.96 -58.12 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.48 -46.26 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.74 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.7 m-85 -42.22 -53.21 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -47.67 -61.95 4.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . -53.02 -27.85 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -69.98 -38.24 76.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.09 -36.24 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 42' ' ' GLY . 18.9 m -119.38 -146.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -174.99 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.0 -84.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' SER . 7.9 t70 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -34.16 73.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -40.5 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -51.89 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -34.01 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.93 -29.04 63.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -72.67 -51.65 18.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 59' ' ' THR . . . -60.37 -47.69 84.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.14 -52.11 65.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.784 ' CE2' HD11 ' A' ' 66' ' ' ILE . 9.2 t80 -63.75 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -67.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.17 -49.69 41.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 m -53.04 -37.28 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.784 HD11 ' CE2' ' A' ' 62' ' ' PHE . 51.4 mt -74.0 -29.91 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.2 ttm -77.47 -66.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.52 -54.3 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.6 -50.7 2.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -54.56 6.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.28 -39.11 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.97 -29.96 71.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.21 -56.82 6.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 60' ' ' ALA . 4.6 tp -49.67 -46.45 49.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.63 -39.52 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -62.8 -51.81 65.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.52 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.56 -56.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -29.9 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -35.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.91 -70.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 55.4 t -52.44 -47.77 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -40.57 -35.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.99 -48.93 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -57.37 -48.8 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -50.01 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.19 -39.27 72.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.03 -30.39 70.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.78 -55.7 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.4 -54.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' PHE . 3.6 m -53.64 -59.9 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -37.56 -53.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -64.94 -59.82 7.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -39.56 -61.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -53.75 -42.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -51.55 -36.71 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.04 -19.34 47.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 33.9 t80 47.71 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -107.41 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -162.87 124.78 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -170.75 147.99 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.9 -129.6 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.12 60.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HD2' ' A' ' 27' ' ' PRO . 76.5 t 63.09 142.94 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.686 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.07 64.3 6.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -178.72 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -51.39 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 31' ' ' ALA . 2.4 tp -49.99 -49.81 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -55.04 -36.52 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.02 -29.64 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.92 -40.0 63.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.75 -50.66 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.99 -52.41 31.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 t -57.52 -57.66 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.4 -47.63 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.86 -58.68 7.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.67 -76.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -37.26 -59.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.54 -58.0 7.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -53.1 -30.12 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 1.4 t80 -72.03 -36.0 69.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' C ' HG12 ' A' ' 46' ' ' VAL . 7.9 mtp85 -43.98 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' C ' ' A' ' 45' ' ' ARG . 1.3 p 174.95 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -67.61 74.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER 165.39 116.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LYS . 12.6 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -36.55 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 56' ' ' SER . 6.6 m -41.76 -58.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.572 ' H ' HG23 ' A' ' 55' ' ' VAL . 5.2 t -48.31 -45.21 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.59 -42.04 70.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.24 -23.31 60.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -74.49 -46.68 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.75 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -63.51 -48.41 77.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.25 -46.33 87.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -57.57 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.25 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.35 -29.95 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.47 -43.32 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.59 -52.07 3.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -49.7 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.11 -37.35 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.83 -29.86 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.77 34.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.4 -49.93 75.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -55.8 -52.02 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -47.14 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -49.75 69.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.11 -56.18 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.54 -53.41 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -29.86 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -30.63 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.15 -42.14 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.8 t -80.22 -48.03 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -45.46 -35.04 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -45.49 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.83 -47.99 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.23 -50.67 20.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.24 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.23 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.97 -54.98 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -52.81 -61.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -45.69 -49.3 14.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -49.97 -50.22 47.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -68.44 -61.67 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.28 -59.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 14' ' ' PHE . 1.6 tp -55.01 -43.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -53.93 -33.21 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.3 -19.61 45.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 51.08 99.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 -176.52 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.92 -73.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 164.04 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.8 -43.43 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' ' CG2' ' A' ' 26' ' ' VAL . . . 75.84 -155.41 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG2' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER 40.48 87.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.801 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.82 42.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.81 -57.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.85 -48.65 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.09 -52.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.29 69.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.89 75.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -78.08 -34.96 49.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.06 -57.43 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.04 -50.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.4 24.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 40.5 t -57.23 -43.94 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -46.32 -64.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -59.54 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -36.26 -78.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 32.0 t80 -36.87 -57.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.736 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.17 -54.62 8.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.92 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -72.97 -29.76 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.855 ' O ' HG13 ' A' ' 46' ' ' VAL . 6.0 tpt180 -80.43 -65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 175.65 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 71.49 -169.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 8.6 m120 71.62 81.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.7 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.92 -45.96 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' SER . 12.7 m -41.67 -51.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' VAL . 58.5 m -47.35 -50.42 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -38.34 74.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.66 -24.78 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -74.24 -49.8 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.69 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.757 ' O ' HG23 ' A' ' 65' ' ' THR . 13.4 t80 -61.37 -54.02 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -60.04 -32.18 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.51 -54.28 18.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.8 p -56.14 -30.89 62.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 62' ' ' PHE . 15.4 mt -75.04 -30.01 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -66.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.07 -0.396 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.02 -39.88 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.59 -57.25 1.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -49.03 -48.5 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.03 -37.93 57.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.59 69.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.46 -60.09 4.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.9 tp -52.49 -44.82 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -54.39 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -50.87 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.01 -53.41 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.72 -56.76 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' A' ' 94' ' ' LEU . 18.8 mt -53.52 -49.18 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 95' ' ' VAL . 3.2 mp -54.35 -29.92 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -81.2 -29.79 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 91' ' ' ILE . 13.9 mt -60.42 -34.07 73.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 92' ' ' LEU . 33.9 m -81.38 -31.64 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -47.72 67.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.64 -61.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.65 -57.43 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.72 -49.84 36.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.08 69.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 14' ' ' PHE . . . -70.81 -29.61 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -51.71 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.58 -57.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.9 m -47.3 -66.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 30.6 t80 -51.02 -55.22 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -47.36 -75.75 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -39.18 -50.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.947 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.433 ' HA ' ' CB ' ' A' ' 21' ' ' LYS . 69.7 mt -49.17 -54.08 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -29.9 64.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.32 62.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 177.88 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -39.35 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ARG . 6.0 ptt180 176.38 59.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.02 142.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -56.27 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.04 155.14 7.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.846 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -76.1 -51.68 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.753 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.95 112.21 3.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER 159.52 -179.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.36 -43.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.7 mm -47.33 -57.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 26' ' ' VAL . . . -58.22 -32.16 68.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -30.56 75.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -37.21 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.07 -53.27 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.49 -52.6 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.48 -47.87 35.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.6 t -65.07 -40.88 95.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tt -48.15 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -57.25 -66.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ALA . . . -36.91 -71.91 0.17 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.416 ' O ' ' HB3' ' A' ' 44' ' ' TYR . 31.8 t80 -39.07 -53.3 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.08 -52.8 37.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.17 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -83.76 -28.83 27.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.734 ' C ' HG12 ' A' ' 46' ' ' VAL . 1.3 ttp180 -45.83 -53.92 8.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.734 HG12 ' C ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 166.0 76.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.11 -67.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -149.97 112.09 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.13 -40.25 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.0 t -41.94 -58.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -44.47 43.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.28 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.86 -23.13 58.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -72.59 -55.19 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -66.92 -39.59 87.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.88 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 66' ' ' ILE . 49.5 t80 -61.87 -36.71 82.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.65 -61.69 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.99 -51.33 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -54.62 -29.84 53.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 62' ' ' PHE . 10.5 mm -81.06 -29.81 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -62.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.935 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -58.24 -46.51 85.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.47 -44.62 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.32 -60.17 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 ' O ' ' A' ' 80' ' ' ALA . 22.9 m -59.06 -28.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.74 -34.06 77.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.02 -51.95 8.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -51.95 -48.55 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -60.61 -53.24 59.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -48.68 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 tpp -56.78 -57.02 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -49.3 -55.27 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.5 mt -48.22 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -29.71 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -65.37 -41.91 93.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.32 -38.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -36.39 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 tt -39.96 -44.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -47.15 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.499 0.19 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.6 124.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.97 74.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -119.37 173.8 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -37.83 124.52 1.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 10.7 t80 -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.19 -54.4 1.58 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.7 -50.65 32.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -33.99 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.62 -29.64 66.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.06 -61.91 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.12 -39.51 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -59.35 -53.1 62.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.57 -53.95 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.45 -69.04 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 p -41.25 -54.33 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 17' ' ' ILE . 15.1 mm -48.44 -48.75 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.3 -36.2 70.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.05 -19.78 74.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' ILE . 46.1 m-85 38.72 91.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.58 53.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 -56.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.48 172.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.19 65.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.94 -42.5 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 26' ' ' VAL . 41.0 t 50.41 64.5 8.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.02 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.441 1.758 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t 176.06 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -41.89 -47.1 4.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 26' ' ' VAL . 1.2 tp -50.37 -52.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.52 -31.7 66.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.98 -29.65 66.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -44.01 56.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.57 -52.37 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.6 t -60.36 -59.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -51.62 -39.82 46.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.68 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 mt -41.48 -40.46 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.32 -68.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.74 -67.62 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -38.08 -58.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.24 -51.89 29.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' A' ' 55' ' ' VAL . . . -54.01 -32.2 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -77.15 -29.97 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.98 89.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.7 t 66.95 78.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -123.92 -48.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.73 -50.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.93 156.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -178.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.613 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -83.58 169.79 15.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.49 ' OD1' HG23 ' A' ' 53' ' ' VAL . 1.3 p30 -56.75 177.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.49 HG23 ' OD1' ' A' ' 52' ' ' ASP . 24.0 t 67.62 -75.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASP . 1.3 mttp -45.55 -45.0 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 43' ' ' ALA . 8.8 m -42.02 -57.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 55' ' ' VAL . 41.5 m -47.94 -45.82 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -41.93 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.72 -22.77 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 m -73.31 -48.29 35.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.27 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.51 -47.07 87.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 82' ' ' LEU . 1.6 tp -55.35 -59.44 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.29 -50.31 59.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -55.11 -31.51 61.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.93 -29.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -53.9 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.98 -60.09 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 69' ' ' VAL . 14.9 p -83.57 100.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.57 158.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -38.26 142.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.29 121.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 119.77 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.45 179.7 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 172.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.49 179.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 20.75 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.503 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.89 -51.09 83.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -55.63 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.47 -50.3 62.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -50.07 3.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -49.59 -50.72 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.35 -34.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.29 -29.78 68.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.27 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.8 tm? -56.04 -45.48 79.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -54.47 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -39.17 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -54.55 41.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -53.64 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mt -51.89 -52.84 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -29.95 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -74.75 -32.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -36.41 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.6 t -88.13 -38.54 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tt -48.79 -43.38 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.83 -51.25 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 98' ' ' LEU . 8.3 tt -65.33 -57.14 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.547 0.213 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.45 151.24 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 41.76 67.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.1 tt -152.77 130.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -38.55 118.05 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 20.7 t80 -60.57 -56.49 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.18 -54.93 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.68 -50.28 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.56 69.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.74 -29.57 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -51.69 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.61 -59.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 17' ' ' ILE . 3.4 m -44.2 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.85 -49.05 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -54.11 -79.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' HG ' ' HH ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -38.92 -48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.548 HD12 HG22 ' A' ' 13' ' ' THR . 39.6 mt -48.04 -55.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.63 -29.96 66.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 -26.91 68.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 21' ' ' LYS . 34.6 p90 177.87 -49.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' N ' ' CD2' ' A' ' 20' ' ' TYR . 9.8 tptt 178.01 -151.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -118.93 -45.14 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 -46.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.3 -149.74 9.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.7 133.05 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 34.0 m -47.45 147.71 2.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -179.72 5.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.571 1.827 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t 74.73 -66.7 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.87 -49.02 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -49.63 -51.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.22 67.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.04 -29.87 70.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.82 -44.78 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.69 -49.03 78.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.25 -45.26 98.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.43 -39.57 90.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.8 t -70.65 -62.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -40.06 -48.0 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 55' ' ' VAL . . . -57.76 -59.23 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -78.63 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -40.97 -57.04 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -52.55 -51.97 40.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -52.72 -29.73 28.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -29.73 25.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -71.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLY . 98.6 t -51.74 -33.97 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 103.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 178.6 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.59 93.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.45 112.71 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.0 -61.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -162.46 -62.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.36 28.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' VAL . 8.1 tptt -76.87 -54.34 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.527 HG22 ' HB1' ' A' ' 39' ' ' ALA . 7.6 p -40.45 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 55' ' ' VAL . 66.1 m -48.47 -52.55 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.61 -34.93 67.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.13 -29.07 65.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 12.5 m -73.63 -47.04 43.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.942 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.49 -36.04 82.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -64.86 -65.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -41.26 81.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.3 tp -55.31 -61.88 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.42 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.4 m -54.79 -33.02 60.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.73 -29.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -77.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.53 22.43 3.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.8 p -155.03 70.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -150.41 46.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 56.34 47.29 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' ARG . 3.8 mmpt? -94.78 -169.87 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER 79.46 -54.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.8 p -39.36 138.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.33 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 64.11 138.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 77' ' ' ILE . 1.8 mp -75.21 70.51 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.98 154.59 0.37 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.627 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.95 104.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.89 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.85 -53.38 3.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.942 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -49.4 -48.48 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 79' ' ' PRO . 98.7 t -56.8 -37.68 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.61 -29.84 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.95 -55.04 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -41.46 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -48.48 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -49.2 78.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -49.99 -60.73 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.05 -47.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -37.39 61.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 4.2 mtp85 -73.45 -29.95 62.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt -44.3 -62.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.18 -39.79 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.2 tm? -40.68 -37.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.2 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -49.38 75.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.488 0.185 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 4' ' ' ILE . 11.1 m-20 -171.06 -55.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.07 70.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -164.41 156.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -39.79 138.72 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 5.0 m-85 -87.13 -55.1 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.19 -56.46 1.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -48.32 -49.58 33.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -36.34 69.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.59 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -57.25 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' SER . 17.9 m -60.2 -33.89 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.9 m -60.7 -55.25 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -59.61 -59.71 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.23 -67.42 2.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 14.6 t -41.3 -51.57 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 13' ' ' THR . 29.9 mt -48.58 -50.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.0 -33.51 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.71 74.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 38.73 92.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.75 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.37 15.49 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.38 165.65 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -98.51 164.49 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.4 -112.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -177.07 -59.52 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' GLY . 93.3 t -40.23 100.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.33 4.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.597 ' OG ' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -171.87 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.11 -48.9 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.6 mm -49.58 -51.63 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.63 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.05 -29.78 70.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.7 -46.13 39.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -39.38 94.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -68.52 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -48.07 -48.68 25.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 63.1 m -56.95 -60.65 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 44.2 tp -40.55 -42.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' CG1' ' A' ' 55' ' ' VAL . . . -61.12 -71.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.36 -72.44 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.32 -54.07 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.39 -55.17 13.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -29.87 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.21 -30.79 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -58.5 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLY . 57.1 t -70.99 -65.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 t 79.05 143.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 174.08 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.5 79.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -97.08 -160.61 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 64.52 132.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.7 m-20 68.9 127.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 53' ' ' VAL . 14.8 p -70.88 60.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -89.37 -44.54 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 49.5 t -42.23 -55.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -46.42 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.25 -39.59 72.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.24 -22.25 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -76.16 -41.57 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.38 -46.85 53.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.25 -50.19 74.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 66' ' ' ILE . 30.3 t80 -61.59 -58.99 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.31 -55.71 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.51 60.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -55.11 -30.64 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 62' ' ' PHE . 10.9 mm -77.83 -30.12 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -56.71 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.27 62.36 1.9 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.61 153.88 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 153.15 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.79 -58.32 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -146.28 138.03 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.99 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.76 119.48 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 104.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.55 173.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 77' ' ' ILE . 60.3 mt 59.03 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.19 158.07 4.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 53.21 3.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.8 -58.64 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.78 -50.84 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.597 HD11 ' OG ' ' A' ' 28' ' ' SER . 5.3 mt -44.12 -55.66 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.61 -39.83 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -61.86 -31.16 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.4 -61.23 3.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -45.76 -45.67 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -61.3 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mp -43.72 -49.06 8.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmm -51.47 -59.4 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 mtt -46.81 -53.77 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.7 mt -48.91 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.72 -29.92 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -67.21 -39.83 86.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -46.56 8.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.55 -48.62 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -41.64 -34.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.39 -50.85 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.3 -46.34 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CB ' HD13 ' A' ' 96' ' ' LEU . 3.5 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.515 0.198 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.54 152.13 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 pp -140.32 105.79 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 tt -174.92 -47.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.94 61.77 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.67 -54.8 6.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.763 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.3 -56.08 1.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -48.91 -49.5 39.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 0.785 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -35.44 68.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -29.76 65.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.76 -55.19 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.07 -59.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 7.8 m -42.63 -51.84 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -54.04 -52.68 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.09 -69.86 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -41.0 -55.9 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -48.23 -48.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -37.6 70.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.26 -19.64 73.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 47.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.779 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.0 58.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.32 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.0 137.22 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.93 103.83 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -157.67 -89.41 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -39.41 99.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.4 Cg_endo -74.98 78.84 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.2 m -176.05 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.66 -56.27 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -48.01 -47.89 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.6 73.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -46.73 67.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.83 -36.32 82.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' ALA . 72.2 t -62.81 -65.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -50.22 -43.03 42.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.82 -65.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -39.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.63 -68.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.33 -70.22 1.06 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -42.97 -57.03 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.93 -53.27 23.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.71 49.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.36 -30.02 47.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -53.86 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.96 60.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -57.63 161.11 3.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -179.29 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.37 -69.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.11 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -175.58 109.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -50.93 136.94 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 26.3 t 68.27 -68.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -40.52 -45.87 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 56' ' ' SER . 3.9 p -42.27 -56.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG13 ' A' ' 55' ' ' VAL . 1.1 t -48.57 -45.27 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -41.42 73.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.09 -21.85 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.41 ' CG2' HG12 ' A' ' 35' ' ' VAL . 6.2 m -74.28 -52.91 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.461 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.85 69.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.9 -52.96 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD2' HD11 ' A' ' 66' ' ' ILE . 12.2 t80 -63.2 -45.17 92.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -54.23 -58.64 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.89 58.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -55.36 -31.51 61.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.914 HD11 ' CD2' ' A' ' 62' ' ' PHE . 18.6 mt -76.08 -29.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -54.79 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 57.03 1.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -116.1 139.38 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 163.16 13.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -78.12 119.46 21.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 125.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.88 -48.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.04 162.49 12.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -120.02 120.27 35.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER 68.75 -66.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -70.63 63.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 ptt? -138.01 151.4 70.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' GLY . . . -70.4 -39.94 74.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.45 -49.05 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -56.55 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 0.776 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.91 -36.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.14 -31.66 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.49 -53.2 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -50.1 -44.02 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -63.87 -56.06 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -44.63 -39.9 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -50.33 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.2 pp -52.06 -48.74 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -54.01 -34.1 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -75.87 -29.91 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.62 -51.4 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.26 -42.05 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.8 -35.63 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -40.86 2.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -47.16 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.543 0.211 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.56 -55.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -112.48 176.61 4.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mt -115.76 -64.83 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.06 172.39 20.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 49.5 m-85 -89.7 -51.4 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.1 -58.02 1.28 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.38 -48.55 36.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 0.711 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.35 68.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -29.49 65.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.94 -56.17 10.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.97 -50.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.5 m -49.68 -60.85 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 1.7 t80 -50.91 -43.09 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.39 -76.01 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -51.35 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mm -50.03 -51.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -58.27 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' TYR . . . -81.54 -21.39 62.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 36.52 61.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 -62.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 85.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.83 168.56 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.16 -109.27 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 26' ' ' VAL . 14.3 p -138.58 69.98 45.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.07 -176.16 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 28.7 t -59.76 -47.76 84.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tp -41.74 -53.86 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 17.9 mm -49.67 -48.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.6 -38.65 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.06 -29.6 68.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.68 -38.98 67.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.28 -58.1 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 31' ' ' ALA . 9.9 p -55.27 -51.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -52.46 -58.42 11.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -50.63 -45.74 57.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -60.26 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.13 -69.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.27 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.9 t80 -38.67 -53.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.22 -60.72 4.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 50' ' ' LYS . . . -56.16 -29.56 60.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -67.95 -34.23 76.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.7 mtm180 -45.93 -49.13 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER 164.41 -46.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.2 p -60.09 167.93 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.23 108.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 65.01 1.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -178.41 129.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.51 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.65 88.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 90' ' ' MET . 10.6 t 72.58 -59.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -65.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -41.64 -53.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -48.17 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.93 -36.39 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.97 -25.61 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.7 m -70.74 -49.79 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -71.18 -36.03 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.68 -49.66 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.8 -42.88 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -59.89 4.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.0 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -55.4 -30.49 60.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 11.8 mm -78.13 -29.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -65.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.84 -94.16 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 70' ' ' ARG . 6.0 p -144.05 -53.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' N ' HG13 ' A' ' 69' ' ' VAL . 1.2 ptt85 -161.66 146.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -67.54 158.34 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -138.47 174.13 10.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -67.25 98.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.42 178.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.1 72.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 77' ' ' ILE . 26.8 mm -124.75 57.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 1.7 ttt 40.47 63.34 5.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.64 -54.9 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.36 -53.03 3.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 mt -48.38 -49.58 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 0.796 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.0 t -56.69 -38.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.24 -29.79 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.14 -47.9 34.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm? -59.75 -45.58 91.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -55.37 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -50.47 -40.41 50.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -51.18 70.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.71 ' HG2' HG13 ' A' ' 53' ' ' VAL . 18.3 mtt -54.42 -56.24 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.1 mt -51.04 -54.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.61 -29.88 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.75 -32.46 65.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.75 87.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.91 -36.06 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -46.35 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -56.15 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -54.4 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 tpp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -89.58 -59.61 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.6 171.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 5' ' ' GLY . 4.9 tp -105.4 -51.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.446 ' N ' HG23 ' A' ' 4' ' ' ILE . . . 38.65 64.32 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.24 -51.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.02 -56.34 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -47.37 -50.18 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 13' ' ' THR . . . -56.94 -37.1 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.14 -29.86 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -45.82 48.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.22 -55.34 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 14' ' ' PHE . 4.1 t -56.4 -50.33 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' N ' HG23 ' A' ' 13' ' ' THR . 0.4 OUTLIER -45.78 -63.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -56.99 -61.56 7.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -38.68 -64.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.74 -45.45 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.3 t80 -51.06 -44.01 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -19.46 69.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.2 t80 50.73 102.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -142.89 65.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 72.48 95.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -60.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 -97.59 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.3 -131.79 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 26' ' ' VAL . 27.6 m -128.2 91.81 43.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p 179.63 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.0 -50.65 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.33 -50.19 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.69 -35.06 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.66 -29.71 67.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -44.57 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.45 -44.27 91.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.69 -58.54 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.86 -42.49 38.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -40.61 -43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.04 -75.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.34 -71.64 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.52 -50.13 19.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.17 -39.84 57.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -73.76 -29.66 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -49.58 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 47' ' ' SER . 16.6 m -80.05 -51.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 39.32 79.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.0 -48.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.6 -55.78 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -173.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.22 107.03 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -163.36 175.28 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.58 -23.19 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -43.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 56' ' ' SER . 33.3 m -43.25 -54.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 55' ' ' VAL . 7.9 t -49.42 -45.63 46.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -39.15 75.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -76.22 -19.65 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.2 m -77.47 -40.82 41.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.27 -39.38 48.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.48 -48.49 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -67.44 -49.01 65.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.37 -57.77 8.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.37 -50.31 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -55.25 -30.14 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mm -78.55 -29.97 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mmt -68.27 -35.53 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.99 -82.3 0.3 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.41 133.8 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -88.64 90.99 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.8 -53.39 4.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.579 ' HE3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER 58.4 68.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -59.16 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.13 130.32 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 60.09 5.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -87.64 174.15 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 78' ' ' MET . 3.9 mp -109.86 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.9 mtt 164.77 -52.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.1 Cg_endo -75.01 -58.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.87 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.56 -51.26 3.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -50.15 40.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG11 ' HE3' ' A' ' 72' ' ' LYS . 87.1 t -57.72 -35.77 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.52 -54.57 8.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.67 -41.29 77.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HD12 ' A' ' 91' ' ' ILE . 7.7 t -59.88 -57.78 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 -44.08 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 tpp -57.21 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -56.2 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 87' ' ' SER . 3.1 mt -48.63 -62.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.76 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -66.11 -43.33 87.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.42 -32.93 28.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.5 t -86.02 -44.47 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -47.43 -41.5 20.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -40.53 -56.43 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 96' ' ' LEU . 13.0 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.509 0.195 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.68 85.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.83 53.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.739 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -118.45 -39.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' N ' HG12 ' A' ' 4' ' ' ILE . . . -152.72 88.62 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -88.8 -53.45 4.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.15 -56.78 1.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.29 -49.28 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.62 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.57 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.93 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.58 -48.27 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -51.64 -66.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -39.11 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.84 -72.86 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -41.2 -50.61 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.27 -51.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.57 -32.86 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.17 -19.94 76.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.9 t80 178.93 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.45 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 -61.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 179.99 119.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.89 136.2 4.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.96 -113.47 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 26' ' ' VAL . 3.7 p -150.2 65.17 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.99 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 45.8 p -70.95 -52.41 20.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -41.51 -54.62 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.38 -49.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.23 -40.64 64.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.69 72.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.175 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.09 -47.0 48.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.11 -56.06 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' ALA . 11.1 p -56.91 -54.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -51.97 -33.03 35.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.9 t -66.68 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.2 tp -40.28 -44.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.54 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -52.81 -68.62 1.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -36.3 -56.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.741 . . . . 0.0 110.985 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.94 -53.95 20.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.59 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -78.52 -29.93 46.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -70.56 -32.67 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t 67.75 71.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -132.6 22.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.05 -175.17 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.33 -11.96 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' HG23 ' A' ' 55' ' ' VAL . 1.3 mmpp? -59.17 119.61 7.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.97 65.74 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -174.05 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 53' ' ' VAL . 58.6 t 44.42 37.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -87.44 -50.77 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 59' ' ' THR . 50.1 t -39.78 -49.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -53.77 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.08 -33.64 65.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -32.22 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 55' ' ' VAL . 16.5 p -78.57 -36.1 44.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -68.2 -38.58 82.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -70.86 -55.62 8.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' THR . 7.3 tt -60.42 -56.37 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' MET . . . -47.09 -61.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -54.54 -29.18 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 64' ' ' ALA . 13.6 ptt? -90.08 -29.57 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 67' ' ' MET . . . -158.79 -120.55 0.59 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 69' ' ' VAL . 2.0 p 179.25 56.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 63.7 97.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -82.14 -74.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.24 74.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -164.14 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -124.47 -178.22 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.051 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 121.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.51 -62.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -179.17 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.5 mmm 163.75 -52.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -73.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.96 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -52.59 3.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.0 mt -50.12 -48.75 53.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -36.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.38 -29.72 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.59 -50.64 14.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt -60.37 -41.45 93.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.17 -52.92 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.15 -46.49 89.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -56.55 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.2 mm -51.65 -53.38 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -29.97 59.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -31.89 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.89 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.1 t -46.65 -42.72 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.19 -38.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -45.65 -48.61 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -40.21 76.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.475 0.179 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.47 156.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.59 -66.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 5' ' ' GLY . 1.4 tp -174.94 -50.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 4' ' ' ILE . . . -167.2 158.04 30.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -87.3 -54.92 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.776 . . . . 0.0 111.0 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.26 -55.84 1.52 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -48.38 -49.84 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.74 69.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.77 66.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -59.01 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -54.01 -46.72 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' PHE . 27.5 m -54.5 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.1 t80 -37.32 -43.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -77.35 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.0 m -39.62 -50.5 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' O ' ' A' ' 13' ' ' THR . 1.6 mp -48.75 -53.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.84 -30.52 67.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.05 -24.33 69.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -68.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 179.55 174.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.77 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.34 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.63 96.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.36 -72.15 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.91 106.25 36.86 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -178.15 -62.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' ILE . 3.9 pp -42.1 -48.18 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 29' ' ' LEU . 32.6 mm -49.55 -52.02 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.71 70.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -37.18 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.03 -42.04 81.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.6 p -69.87 -47.54 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -58.05 -50.19 68.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.74 -65.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.68 -41.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.02 -67.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -71.07 0.82 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -61.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -48.62 -50.28 25.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.69 50.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -32.99 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 42' ' ' GLY . 8.3 p -98.47 44.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.66 -179.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -132.99 55.49 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 p30 168.28 -179.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt 72.97 132.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -127.51 174.38 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -65.23 81.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.61 -72.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -42.17 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 56' ' ' SER . 19.1 m -42.51 -52.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 55' ' ' VAL . 3.6 m -48.86 -48.09 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -37.43 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 32.5 t80 -73.73 -22.32 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -76.46 -45.07 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.56 -48.33 64.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.84 -52.42 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 46.2 t80 -63.66 -37.63 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 66' ' ' ILE . 10.1 tp -58.26 -71.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -45.83 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -50.57 -47.02 58.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.5 tt -67.14 -29.36 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.27 84.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.4 -75.28 0.27 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -103.1 143.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -47.83 -57.17 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 71' ' ' PHE . 8.3 p90 -143.18 104.41 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.78 161.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.61 91.13 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' CG ' ' A' ' 78' ' ' MET . 0.2 OUTLIER -128.68 -78.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.01 80.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' ILE . 3.1 mtpm? 68.32 59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 76' ' ' LYS . 5.4 mp 67.78 96.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.538 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -45.48 -49.07 35.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.02 55.17 3.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.86 -54.88 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -48.89 -50.2 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.04 -36.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.97 -29.76 69.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.05 -58.76 5.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.69 -42.07 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -60.68 -53.51 56.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.47 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -53.52 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -55.77 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.8 mm -50.73 -55.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -29.89 53.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -35.04 71.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -48.03 83.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.4 -46.67 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.69 -29.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 tt -41.09 -42.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -44.87 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtp . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.474 0.178 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -178.49 155.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.3 130.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -132.8 96.19 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.04 106.44 2.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -50.16 -53.33 28.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -36.93 -58.83 1.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 12' ' ' VAL . 25.8 t80 -48.04 -48.37 33.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -55.63 -38.16 69.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.53 66.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -73.11 -64.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 8' ' ' TYR . 7.0 p -52.7 -33.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 2.4 m -64.67 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.43 -65.75 3.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 47.7 t -38.85 -63.84 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 mm -46.11 -46.17 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.5 t80 -51.46 -44.29 62.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.84 -19.63 72.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 112.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -142.91 63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 63.62 113.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.59 165.58 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.06 153.5 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.54 31.39 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.4 p -164.75 83.76 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.44 3.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -168.48 -72.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.91 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' ALA . 1.8 tt -50.37 -52.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.887 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -57.36 -32.17 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.89 -29.58 66.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -76.43 -38.37 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -54.35 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' ALA . 30.5 m -69.33 -35.19 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.51 -29.87 71.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 3.9 m -79.35 -41.18 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -60.09 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -62.43 -45.47 92.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.09 -79.67 0.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 11.7 t80 -42.83 -54.78 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -52.83 -51.5 44.72 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.03 -31.91 43.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -83.0 -28.76 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -59.24 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 42' ' ' GLY . 14.2 m -51.33 -32.91 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.1 p -164.53 179.73 6.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 53.72 90.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 67.3 m-20 -49.21 -46.85 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 152.38 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -138.85 -177.43 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.52 68.38 8.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' VAL . 65.8 t 49.07 52.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 56' ' ' SER . 16.4 m -40.65 -52.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -47.89 -51.0 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -37.81 68.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.83 -29.08 67.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 m -74.34 -45.09 49.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -64.16 -39.78 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.96 -49.54 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.914 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 t80 -59.25 -42.35 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -59.01 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.63 -55.42 13.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.74 -30.0 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.419 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.914 HD12 ' O ' ' A' ' 62' ' ' PHE . 1.1 mt -72.86 -32.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 tpt -85.55 -68.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' CG2' ' A' ' 69' ' ' VAL . . . 99.97 50.82 1.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 78' ' ' MET . 0.2 OUTLIER 40.3 74.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -139.66 -58.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 79' ' ' PRO . 5.7 t80 55.41 178.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.13 -53.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.04 134.25 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -86.32 177.2 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp 64.28 119.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.453 ' HG2' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -50.82 174.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 71' ' ' PHE . 18.3 Cg_endo -75.0 115.92 4.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.03 4.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.68 -50.06 4.01 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.91 -50.46 46.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.45 -34.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.84 -29.76 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.27 -50.64 8.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 60' ' ' ALA . 2.0 tm? -57.56 -42.96 84.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -56.79 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tp -44.03 -44.78 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -56.34 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 ttm -50.46 -53.28 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mm -50.89 -55.83 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -53.89 -29.92 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.2 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.4 m -49.78 -39.18 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.04 -51.34 3.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 tp -40.53 -50.44 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -60.25 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.5 0.191 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' HD22 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -164.85 166.63 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 2' ' ' ASP . 4.5 mm? -118.42 156.0 29.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -158.8 149.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.69 -178.07 9.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.9 t80 -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.17 -55.59 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.555 1.16 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.461 ' CB ' HG12 ' A' ' 4' ' ' ILE . 1.2 m-85 -48.64 -49.97 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -57.1 -35.22 69.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.6 65.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -67.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -50.38 -44.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 12.1 m -53.78 -69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -45.17 -38.81 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.57 -80.93 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.13 -50.07 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mm -48.31 -53.1 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.91 -31.5 68.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.01 -23.05 72.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.34 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -173.19 -161.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -110.29 -48.41 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 163.62 108.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.7 -142.81 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.34 59.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 27' ' ' PRO . 70.6 t 63.87 142.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.88 -61.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.9 -50.38 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -48.84 -51.17 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.62 -36.82 67.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.79 -29.78 72.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.97 13.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.97 -46.56 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 59' ' ' THR . 17.1 t -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -44.45 -42.21 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.14 -40.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.69 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.67 -67.05 2.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -37.27 -58.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.5 -51.01 45.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -30.56 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.653 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-85 -84.06 -29.43 26.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -32.35 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TYR . 40.4 t 66.69 52.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 p -108.8 -43.27 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -86.09 -26.52 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 51.48 78.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -104.26 -165.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -68.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.24 165.05 11.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -80.96 68.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -77.4 -36.19 53.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -42.03 -56.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -47.4 -46.46 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.17 -42.55 73.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.28 -23.09 61.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -73.59 -51.68 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -62.94 -49.23 75.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -55.61 -51.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.99 -36.99 85.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.12 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.65 -44.31 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -48.91 -48.16 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.957 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.3 tt -70.9 -28.44 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.5 ttt -61.7 -47.21 86.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.16 -96.7 0.17 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -94.65 161.74 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.8 11.54 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -135.93 68.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.34 122.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.851 ' HG2' ' HB2' ' A' ' 80' ' ' ALA . 7.2 mtp180 -123.4 83.66 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER 171.67 78.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 78' ' ' MET . 5.7 mmtt 168.96 170.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.57 36.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 77' ' ' ILE . 3.8 mm 71.75 43.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 59.54 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.61 16.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.851 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . . . -50.33 -52.87 33.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.55 -50.48 3.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -49.94 -50.33 46.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.17 -34.15 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.26 -29.78 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.5 -46.04 34.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -62.48 -44.54 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.08 -46.24 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -50.13 68.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.02 -54.99 35.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.59 -58.76 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -29.85 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.31 -38.67 81.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -51.95 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.26 -30.53 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -51.84 -37.86 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.0 mt -41.45 -45.85 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -52.93 33.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.494 0.187 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.76 118.67 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 96.44 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 pt -139.3 166.86 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.59 104.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.8 m-85 -68.13 -59.07 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.07 -54.92 1.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -47.63 -50.92 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -35.69 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.44 -29.83 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.41 -53.25 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.3 t -53.26 -51.76 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -52.69 -57.66 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -59.06 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.0 -66.04 3.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLY . 7.6 t -38.28 -64.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -45.4 -46.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.8 t80 -50.78 -45.42 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.27 -19.61 74.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.55 107.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -171.9 61.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -179.65 3.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.36 -56.89 0.51 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.26 88.71 1.23 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.65 94.62 33.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.05 150.98 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER 84.91 -65.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 29' ' ' LEU . 6.5 mp -42.1 -52.3 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pp -49.38 -49.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -54.47 -38.08 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.61 70.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -63.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.741 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.61 -46.6 67.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 31' ' ' ALA . 53.9 t -59.69 -70.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -39.99 -48.53 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -54.96 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 6.1 tp -40.49 -37.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.96 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.99 -66.64 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -43.26 -57.4 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.36 -52.25 28.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 50' ' ' LYS . . . -54.2 -31.55 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.7 -29.89 51.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -66.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.07 -51.52 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t 53.24 102.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 178.71 55.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 167.19 -65.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 4.9 tptp -168.79 -168.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 173.28 61.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LYS . 7.1 t0 176.87 103.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t 70.52 -60.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' ASP . 5.8 mttm -40.26 -58.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 56' ' ' SER . 7.4 m -41.23 -59.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.596 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -47.63 -45.62 27.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -43.27 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.8 -24.58 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' CG1' ' A' ' 35' ' ' VAL . 3.1 m -72.92 -50.04 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -66.24 -39.26 89.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' THR . 24.5 t80 -59.67 -56.94 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 m-85 -59.87 -41.98 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 59' ' ' THR . 2.6 mm? -57.41 -76.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.21 -43.09 9.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.4 m -48.12 -49.29 32.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.9 pt -70.8 -28.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -70.77 -55.91 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.57 -97.35 0.16 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.6 t -116.85 127.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -40.02 -63.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -79.71 157.95 27.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 -67.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.2 139.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.77 167.81 24.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -124.21 55.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.87 -70.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.1 tt -95.6 -38.17 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.64 84.54 0.18 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 54.79 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.905 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -70.31 -39.68 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.12 -44.63 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.91 -60.71 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 80' ' ' ALA . 32.6 m -60.12 -29.54 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -32.76 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.75 -52.41 5.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ALA . 55.4 tp -49.55 -46.99 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -64.84 -59.26 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.26 -43.21 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.0 mtt -63.13 -56.39 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.0 ttm -50.55 -53.26 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -51.31 -54.68 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -29.91 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.65 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -39.7 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.42 -52.23 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -48.29 -33.44 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -43.98 -55.38 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -52.19 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.484 0.183 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.52 118.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.66 76.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' PHE . 3.7 tp -171.84 143.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.31 96.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' ILE . 1.6 m-85 -54.51 -56.42 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.08 -56.7 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -47.83 -49.7 28.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 13' ' ' THR . . . -56.79 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -69.0 -29.88 68.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -41.72 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -51.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 20.3 p -54.39 -49.81 69.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -56.33 16.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 -68.14 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.14 -58.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 13' ' ' THR . 67.9 mt -48.37 -47.48 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.82 -38.57 67.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.78 -19.69 69.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.58 104.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -165.61 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.25 149.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.27 -58.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.73 -114.06 1.04 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 111.88 96.81 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 162.93 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -175.52 2.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -123.01 25.22 8.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.93 -52.03 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.662 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -48.27 -50.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -54.2 -39.39 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.91 73.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -56.66 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.68 -41.05 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' CG2' ' A' ' 59' ' ' THR . 3.1 t -65.3 -67.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -42.23 -45.61 5.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.16 -66.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -37.63 -43.43 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.06 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.27 -72.21 0.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -39.72 -55.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.98 -54.72 17.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.61 -30.24 41.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -79.15 -31.13 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -69.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLY . 38.4 t -91.47 59.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.2 141.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.48 -46.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -173.61 104.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.74 117.44 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -99.37 -62.11 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.51 -62.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 53' ' ' VAL . 2.6 p -175.74 39.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -35.63 60.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 56' ' ' SER . 28.8 m -41.83 -55.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 55' ' ' VAL . 23.1 m -46.99 -47.77 21.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -42.22 73.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -71.77 -23.02 61.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' CG1' ' A' ' 35' ' ' VAL . 2.7 m -75.07 -47.57 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.59 -45.64 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.77 -49.11 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.54 -54.13 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.81 -57.63 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.51 47.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.6 m -54.49 -32.53 58.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 26.1 mm -77.39 -29.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -82.98 -70.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.06 -98.19 1.78 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.26 70.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.37 44.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -167.59 42.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 176.46 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -93.41 -28.95 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.09 126.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.88 159.8 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.48 -57.83 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.9 mt -95.66 -58.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.65 153.4 70.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.533 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 148.12 34.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.04 -52.99 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.567 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -49.66 -49.5 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 79' ' ' PRO . 76.6 t -56.7 -36.26 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.57 -31.33 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.99 -62.54 3.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.32 -40.7 49.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -60.92 -64.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -40.15 -41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 mtt -63.43 -51.38 65.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -54.96 37.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.67 -58.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.61 -29.86 39.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -37.97 79.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -62.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.93 -43.77 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.09 -34.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -51.34 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -46.76 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.523 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.36 119.14 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -129.25 -65.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt 43.08 49.92 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.65 81.58 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -88.1 -54.86 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.17 -56.32 1.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -47.9 -49.83 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.54 70.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.6 67.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -46.18 56.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.81 -60.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -51.72 -50.76 59.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.67 -63.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -60.13 -61.83 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.39 -66.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -44.12 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.5 t80 -50.62 -43.22 56.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.76 -19.59 65.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.31 132.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.4 -176.58 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -73.76 -40.94 63.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 6.4 mtp180 159.75 -176.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.01 79.55 0.59 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 26' ' ' VAL . . . 179.33 -63.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 25' ' ' GLY . 5.8 m -151.62 93.53 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.65 10.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 m -99.19 -64.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.08 -50.25 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 31' ' ' ALA . 2.7 pp -49.12 -50.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' N ' HD12 ' A' ' 30' ' ' ILE . . . -55.74 -36.59 67.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.14 -29.67 72.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.36 -40.63 50.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.73 -45.87 87.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.3 p -66.3 -49.67 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.49 -36.75 64.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.157 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -67.91 -61.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.4 tp -39.76 -50.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -55.17 -64.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.61 -78.83 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -39.44 -59.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -50.51 -51.17 33.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.35 -32.46 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -78.77 -29.82 45.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -76.19 -46.7 27.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' GLY . 14.0 p -80.84 -31.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.33 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.39 -43.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.93 103.79 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? 60.62 -176.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -57.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -156.98 176.54 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t 65.18 -81.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -48.35 -49.71 33.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 56.1 t -41.51 -58.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.71 -45.77 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -54.41 -42.73 70.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -72.24 -23.6 61.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -73.87 -61.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -59.56 -40.46 87.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 79.6 t80 -60.2 -51.71 68.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.34 -34.85 79.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -61.52 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.29 -46.54 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -51.43 -41.79 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.76 -29.79 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -60.9 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.94 -122.79 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.444 1.09 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.73 -89.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -167.42 85.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 72' ' ' LYS . 5.5 p90 -173.88 -159.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 20.5 mttt -103.05 132.38 49.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' SER . 1.1 mpt_? -107.22 -177.92 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 73' ' ' ARG . 0.4 OUTLIER 162.26 67.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.958 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -171.81 85.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.69 157.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 tp 40.46 56.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.43 115.76 9.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.78 21.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.89 -57.28 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -39.85 -52.46 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.5 tp -47.44 -50.88 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -56.77 -38.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -64.04 -30.7 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.09 -52.4 14.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 60' ' ' ALA . 1.9 tm? -54.28 -45.06 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.54 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -46.26 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -60.36 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.92 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mm -52.23 -51.35 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.26 -30.22 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -33.64 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.97 -49.7 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -43.18 -39.97 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.06 -51.21 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -46.41 63.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.519 0.2 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.49 159.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -145.39 64.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 mm -134.75 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.69 118.83 3.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 7' ' ' GLY . 54.1 p90 -72.23 -44.36 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' N ' ' CD1' ' A' ' 6' ' ' PHE . . . -37.11 -57.13 1.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -48.79 -48.95 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.42 68.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.68 65.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -59.34 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -54.78 -52.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -53.3 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -40.94 -37.72 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -65.33 -86.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 36.1 t -38.9 -49.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.802 . . . . 0.0 110.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 17' ' ' ILE . 24.0 mm -48.49 -54.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.26 -30.08 66.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . -77.39 -24.38 65.81 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER 36.36 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -174.93 -173.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.44 51.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.58 -177.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.38 58.91 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.98 -54.93 3.49 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 155.58 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.9 p -136.64 15.33 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -53.02 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -47.94 -50.03 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -53.94 -40.43 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 35' ' ' VAL . . . -66.91 -30.31 75.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -59.3 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -51.19 -53.3 36.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' ALA . 33.6 m -60.42 -35.89 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.18 -74.07 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 27.3 p -49.1 -29.18 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 34' ' ' PHE . 1.2 mt -58.9 -61.38 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.21 -51.5 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.33 -80.52 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 3.5 t80 -47.31 -55.58 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.08 -52.78 16.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.92 -37.0 63.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -75.47 -27.96 59.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.23 -53.4 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.82 -23.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -169.05 177.77 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.32 164.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.81 -51.27 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 30.1 mttt -139.93 155.34 47.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 9.9 ttt180 79.13 135.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 164.36 99.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 t -119.54 -52.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -41.83 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 56' ' ' SER . 14.2 p -41.3 -53.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 55' ' ' VAL . 3.0 m -47.49 -49.73 25.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.24 71.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -26.58 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -74.06 -48.84 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.93 98.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.62 -53.29 58.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.39 -46.11 87.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -50.07 -54.51 19.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 p -55.8 -29.9 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.432 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.21 -30.5 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ttt -86.96 -61.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 118.34 75.83 0.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG21 ' HG2' ' A' ' 79' ' ' PRO . 1.7 p -161.41 115.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -35.69 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 177.25 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.72 175.05 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER 168.41 -54.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -163.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 -145.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 41.73 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.4 mm 66.9 -91.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.5 165.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.559 ' HG2' HG21 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 -19.36 17.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.83 -49.3 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.33 -53.99 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.37 -49.57 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.631 ' HA ' HD12 ' A' ' 86' ' ' LEU . 99.4 t -55.88 -40.66 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -50.18 12.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.2 mt -55.88 -39.46 71.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.11 19.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -41.43 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -44.19 89.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.3 mtt -56.49 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 tp -50.24 -47.33 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.64 -39.2 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -72.22 -29.82 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -44.89 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' LEU . 41.5 t -89.0 -45.05 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -40.34 -29.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -40.15 -35.37 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -54.09 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.486 0.184 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.73 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 63.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 tt -136.02 152.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.41 105.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 83.0 t80 -70.98 -51.54 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.13 -58.27 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -47.75 -48.59 29.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -38.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.22 -29.59 67.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.08 -52.63 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.6 -59.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 41.7 m -42.16 -55.64 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -49.53 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -63.28 -73.6 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.69 -52.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -49.64 -52.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -31.59 62.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . -80.35 -24.84 58.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 49.24 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.1 102.27 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.62 82.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.18 -48.99 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.86 -118.46 0.76 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 92.24 91.26 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 163.49 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.95 -170.75 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 -37.19 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.74 -51.53 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.7 mt -48.42 -50.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -55.26 -38.13 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.61 -29.89 74.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -72.08 -45.86 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.22 -51.62 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 31' ' ' ALA . 12.1 p -61.01 -41.34 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.02 -47.57 72.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.5 m -61.37 -61.68 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . 7.4 tt -38.42 -45.55 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.589 ' HB1' ' CG2' ' A' ' 55' ' ' VAL . . . -58.31 -66.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.57 -75.46 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -38.79 -55.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -51.58 -54.1 26.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.46 -31.15 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -82.94 -33.2 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -74.88 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 74.6 t -68.9 91.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.9 m 77.92 173.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.81 156.68 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ARG . 33.9 t70 -175.93 59.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 67.14 -75.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.7 mtt180 -177.66 -69.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 16.0 t70 175.89 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -141.8 -67.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -43.51 64.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.589 ' CG2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -42.74 -51.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -49.37 -47.82 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.14 -38.16 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -75.13 -21.65 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -76.44 -43.46 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -76.5 -32.82 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 9.6 t80 -66.7 -53.26 35.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.07 -50.37 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 82' ' ' LEU . 1.3 tp -55.31 -57.29 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.36 -51.26 56.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 m -55.5 -30.67 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -76.72 -30.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -58.33 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.43 146.43 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 69' ' ' VAL . 2.5 p -144.72 56.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -54.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -91.59 88.69 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 11.4 tmtt? -98.41 -77.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 3.6 ptt180 -64.07 121.9 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.33 172.93 3.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 44.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.53 158.91 43.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 78' ' ' MET . 1.1 pt -105.23 123.22 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER 165.2 -52.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.03 -55.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.19 81.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.53 -51.42 3.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -48.63 -50.3 33.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.57 -36.76 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.48 -29.83 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.03 -49.49 16.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.95 -46.86 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -56.6 19.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -48.23 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.0 -45.79 92.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -60.94 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.34 -47.82 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -32.39 60.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -37.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -42.79 -47.68 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.22 -36.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.66 -51.32 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.478 0.18 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.22 118.66 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -172.1 117.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -112.24 156.31 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.09 129.82 1.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.5 m-85 -72.23 -54.58 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.18 -56.84 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.07 -49.37 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 12' ' ' VAL . . . -56.66 -36.85 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -29.59 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -62.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 9' ' ' ALA . 10.8 p -48.93 -43.44 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -60.76 -65.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.1 t80 -41.52 -38.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -67.44 -64.91 2.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.09 -61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 18' ' ' PHE . 2.2 pp -49.7 -45.41 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.436 ' N ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -52.07 -40.01 60.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.39 -21.94 63.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -76.11 66.03 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.56 -62.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.23 107.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 103.12 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.45 -137.44 4.85 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 27' ' ' PRO . 7.7 p -54.67 141.1 56.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 86.71 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.03 -62.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.36 -50.18 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.31 66.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.71 -29.84 70.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -46.28 63.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 59' ' ' THR . 14.4 t -65.06 -74.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -38.11 -35.84 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' LEU . 11.0 m -63.1 -68.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -40.4 -36.55 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.38 -67.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -68.17 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -41.92 -56.35 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.38 -54.18 17.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB1' ' OD1' ' A' ' 52' ' ' ASP . . . -53.84 -31.77 50.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -77.26 -30.57 54.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.02 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t 48.76 78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -140.13 -60.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -89.99 -58.01 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -119.45 155.69 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -140.55 60.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.46 82.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' ' HB1' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -52.23 163.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 52' ' ' ASP . 4.2 t 74.35 -70.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -45.36 -48.15 13.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 56' ' ' SER . 11.4 m -41.15 -57.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -47.52 -46.82 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -42.71 68.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.36 -26.04 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.77 HG21 HG13 ' A' ' 35' ' ' VAL . 28.4 m -74.42 -40.94 61.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -70.6 -39.58 73.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.77 -53.47 53.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.58 -65.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.833 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -41.74 -55.44 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.9 -49.9 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -55.12 -30.12 59.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 63' ' ' LEU . 10.2 mt -79.3 -29.9 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -60.04 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.49 -132.88 2.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 70' ' ' ARG . 27.7 m -135.81 -50.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 69' ' ' VAL . 1.5 tpt180 -103.84 39.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 46.93 39.54 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? 62.55 -173.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.86 124.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.28 -175.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -168.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.24 179.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.0 28.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.499 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -74.26 -51.23 4.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.06 -47.92 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.531 1.806 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.69 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.31 -52.17 3.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD12 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -48.25 -50.41 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.84 -37.92 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -30.97 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.32 -55.82 8.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.51 -45.16 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -57.61 -56.07 26.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -46.87 -42.26 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -48.62 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.0 ttp -52.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.64 -46.9 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.0 tp -52.28 -40.39 61.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -71.59 -29.78 65.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.86 -47.18 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 -41.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' LEU . 8.9 tp -45.16 -31.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -38.7 9.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -37.97 79.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LEU . 2.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.489 0.185 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 54.17 91.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.93 93.48 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 4' ' ' ILE . 1.8 tt -157.03 101.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.03 66.01 3.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.5 t80 -64.09 -57.26 10.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.766 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.29 -56.14 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.31 -49.69 33.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.9 69.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.27 -29.57 66.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -48.91 55.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.04 -49.29 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 17' ' ' ILE . 2.5 m -53.67 -57.33 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.42 -58.29 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.95 -67.31 2.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.17 -58.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.989 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 13' ' ' THR . 1.4 mp -48.04 -47.15 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -54.64 -39.37 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.16 -19.62 71.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.3 t80 39.07 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 97.79 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 67.57 103.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -153.44 138.22 17.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.01 167.64 11.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . 172.79 -83.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.5 m -38.88 99.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.01 70.16 5.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -175.89 -67.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.14 -51.43 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -50.0 -49.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.05 -36.63 65.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.08 -29.6 68.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -77.96 -34.74 50.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.724 . . . . 0.0 109.256 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.3 -45.89 68.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.9 p -68.83 -47.13 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.47 -50.13 61.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.96 -58.12 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.48 -46.26 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.74 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.7 m-85 -42.22 -53.21 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -47.67 -61.95 4.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.63 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -53.02 -27.85 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -69.98 -38.24 76.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.09 -36.24 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 42' ' ' GLY . 18.9 m -119.38 -146.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -174.99 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.0 -84.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' SER . 7.9 t70 -169.1 76.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.94 164.17 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -177.67 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.63 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 3.3 t0 -128.66 50.39 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' H ' HG22 ' A' ' 55' ' ' VAL . 95.4 t -153.62 -67.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -34.16 73.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.5 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -51.89 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -34.01 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.93 -29.04 63.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -72.67 -51.65 18.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 59' ' ' THR . . . -60.37 -47.69 84.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CE2' ' NH1' ' A' ' 70' ' ' ARG . 4.4 t80 -56.14 -52.11 65.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.784 ' CE2' HD11 ' A' ' 66' ' ' ILE . 9.2 t80 -63.75 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -67.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.17 -49.69 41.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 m -53.04 -37.28 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.784 HD11 ' CE2' ' A' ' 62' ' ' PHE . 51.4 mt -74.0 -29.91 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.2 ttm -77.47 -66.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.22 -111.02 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -135.66 170.42 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.573 ' NH1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tpm_? -57.98 -57.37 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.7 m-85 -37.93 137.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.99 130.59 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.07 100.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 t -177.95 175.01 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -120.96 136.61 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 68.74 -67.17 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 77' ' ' ILE . 80.8 mt -79.33 75.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.8 OUTLIER -169.32 140.28 1.88 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.062 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 54.27 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.52 -54.3 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.6 -50.7 2.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -54.56 6.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.28 -39.11 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.97 -29.96 71.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.21 -56.82 6.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 60' ' ' ALA . 4.6 tp -49.67 -46.45 49.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.63 -39.52 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -62.8 -51.81 65.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.52 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.56 -56.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -29.9 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -35.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.91 -70.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 55.4 t -52.44 -47.77 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -40.57 -35.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.99 -48.93 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -57.37 -48.8 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.492 0.187 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -127.91 144.24 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.06 125.83 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -131.61 40.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.7 144.27 10.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 30.2 t80 -89.73 -54.18 4.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -36.89 -57.69 1.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -50.01 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.19 -39.27 72.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.03 -30.39 70.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.78 -55.7 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.4 -54.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' PHE . 3.6 m -53.64 -59.9 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -37.56 -53.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -64.94 -59.82 7.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -39.56 -61.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -53.75 -42.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -51.55 -36.71 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.04 -19.34 47.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 33.9 t80 47.71 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -107.41 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -162.87 124.78 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -170.75 147.99 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.9 -129.6 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.12 60.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HD2' ' A' ' 27' ' ' PRO . 76.5 t 63.09 142.94 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.686 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.07 64.3 6.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -178.72 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -51.39 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 31' ' ' ALA . 2.4 tp -49.99 -49.81 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -55.04 -36.52 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.02 -29.64 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.92 -40.0 63.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.75 -50.66 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.99 -52.41 31.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 t -57.52 -57.66 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.4 -47.63 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.86 -58.68 7.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.67 -76.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -37.26 -59.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.54 -58.0 7.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -53.1 -30.12 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 1.4 t80 -72.03 -36.0 69.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' C ' HG12 ' A' ' 46' ' ' VAL . 7.9 mtp85 -43.98 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' C ' ' A' ' 45' ' ' ARG . 1.3 p 174.95 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -67.61 74.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER 165.39 116.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.75 -37.71 85.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -88.55 157.86 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.56 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.248 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -53.07 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LYS . 12.6 p -175.44 -38.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -36.55 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 56' ' ' SER . 6.6 m -41.76 -58.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.572 ' H ' HG23 ' A' ' 55' ' ' VAL . 5.2 t -48.31 -45.21 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.59 -42.04 70.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.24 -23.31 60.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -74.49 -46.68 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.75 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -63.51 -48.41 77.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.25 -46.33 87.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -57.57 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.25 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.35 -29.95 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.37 -61.27 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PHE . 99.1 t -129.46 139.86 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LYS . 1.3 mtp-105 -63.22 78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER 65.21 -72.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -173.28 48.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.02 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -178.64 179.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.784 ' HG2' ' HB2' ' A' ' 80' ' ' ALA . 37.5 mttt -132.7 68.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 46.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' MET . 3.0 mp 47.44 86.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 3.5 mtt 164.54 -52.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.98 -69.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.784 ' HB2' ' HG2' ' A' ' 75' ' ' LYS . . . -43.47 -43.32 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.59 -52.07 3.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -49.7 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.11 -37.35 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.83 -29.86 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.77 34.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.4 -49.93 75.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -55.8 -52.02 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -47.14 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -49.75 69.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.11 -56.18 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.54 -53.41 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -29.86 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -30.63 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.15 -42.14 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.8 t -80.22 -48.03 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -45.46 -35.04 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -45.49 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.83 -47.99 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.446 0.165 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.04 -55.77 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.95 135.16 54.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 tp -161.24 127.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.69 -177.77 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.48 -58.26 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -36.79 -56.37 1.32 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.23 -50.67 20.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.24 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.23 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.97 -54.98 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -52.81 -61.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -45.69 -49.3 14.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -49.97 -50.22 47.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -68.44 -61.67 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.28 -59.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 14' ' ' PHE . 1.6 tp -55.01 -43.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -53.93 -33.21 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.3 -19.61 45.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 51.08 99.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 -176.52 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.92 -73.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 164.04 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.8 -43.43 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' ' CG2' ' A' ' 26' ' ' VAL . . . 75.84 -155.41 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG2' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER 40.48 87.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.801 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.82 42.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.81 -57.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.85 -48.65 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.09 -52.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.29 69.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.89 75.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -78.08 -34.96 49.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.06 -57.43 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.04 -50.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.4 24.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 40.5 t -57.23 -43.94 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -46.32 -64.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -59.54 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -36.26 -78.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 32.0 t80 -36.87 -57.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.736 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.17 -54.62 8.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.92 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -72.97 -29.76 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.855 ' O ' HG13 ' A' ' 46' ' ' VAL . 6.0 tpt180 -80.43 -65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 175.65 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 71.49 -169.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 8.6 m120 71.62 81.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.7 m-20 77.39 -58.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 76.45 62.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 137.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -121.81 68.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -179.27 -40.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.92 -45.96 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' SER . 12.7 m -41.67 -51.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' VAL . 58.5 m -47.35 -50.42 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -38.34 74.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.66 -24.78 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -74.24 -49.8 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.69 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.757 ' O ' HG23 ' A' ' 65' ' ' THR . 13.4 t80 -61.37 -54.02 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -60.04 -32.18 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 69' ' ' VAL . . . -49.51 -54.28 18.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.8 p -56.14 -30.89 62.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 62' ' ' PHE . 15.4 mt -75.04 -30.01 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -66.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.59 41.58 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.547 HG13 ' HB1' ' A' ' 64' ' ' ALA . 2.2 p -101.14 108.75 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.45 83.53 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 39.96 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.52 127.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -55.82 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -86.89 161.27 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -45.28 38.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 176.59 168.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' MET . 4.3 mm 72.19 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.473 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 2.4 mtm 164.91 -52.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.94 -40.22 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.02 -39.88 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.59 -57.25 1.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -49.03 -48.5 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.03 -37.93 57.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.59 69.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.46 -60.09 4.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.9 tp -52.49 -44.82 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -54.39 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -50.87 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.01 -53.41 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.72 -56.76 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' A' ' 94' ' ' LEU . 18.8 mt -53.52 -49.18 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 95' ' ' VAL . 3.2 mp -54.35 -29.92 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -81.2 -29.79 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 91' ' ' ILE . 13.9 mt -60.42 -34.07 73.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 92' ' ' LEU . 33.9 m -81.38 -31.64 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -47.72 67.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.64 -61.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.65 -57.43 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.454 0.169 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 172.8 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.27 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.782 HD13 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER 176.63 -38.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.05 115.29 2.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 17.2 t80 -82.8 -57.04 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.27 -55.48 1.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.72 -49.84 36.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.08 69.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 14' ' ' PHE . . . -70.81 -29.61 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -51.71 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.58 -57.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.9 m -47.3 -66.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 30.6 t80 -51.02 -55.22 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -47.36 -75.75 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -39.18 -50.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.947 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.433 ' HA ' ' CB ' ' A' ' 21' ' ' LYS . 69.7 mt -49.17 -54.08 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -29.9 64.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.32 62.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 177.88 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -39.35 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ARG . 6.0 ptt180 176.38 59.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.02 142.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -56.27 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.04 155.14 7.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.846 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -76.1 -51.68 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.753 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.95 112.21 3.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER 159.52 -179.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.36 -43.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.7 mm -47.33 -57.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 26' ' ' VAL . . . -58.22 -32.16 68.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -30.56 75.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -37.21 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.07 -53.27 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.49 -52.6 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.48 -47.87 35.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.6 t -65.07 -40.88 95.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tt -48.15 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -57.25 -66.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ALA . . . -36.91 -71.91 0.17 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.416 ' O ' ' HB3' ' A' ' 44' ' ' TYR . 31.8 t80 -39.07 -53.3 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.08 -52.8 37.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.17 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -83.76 -28.83 27.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.734 ' C ' HG12 ' A' ' 46' ' ' VAL . 1.3 ttp180 -45.83 -53.92 8.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.734 HG12 ' C ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 166.0 76.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.11 -67.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -149.97 112.09 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.3 -56.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.01 -59.12 0.57 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -149.65 109.9 4.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.05 95.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -178.66 -39.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.13 -40.25 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.0 t -41.94 -58.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -44.47 43.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.28 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.86 -23.13 58.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -72.59 -55.19 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -66.92 -39.59 87.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.88 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 66' ' ' ILE . 49.5 t80 -61.87 -36.71 82.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.65 -61.69 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.99 -51.33 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -54.62 -29.84 53.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 62' ' ' PHE . 10.5 mm -81.06 -29.81 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -62.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.23 140.92 7.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t 70.57 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.612 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 44.8 p90 -71.39 107.18 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -54.65 -43.67 72.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' LYS . 3.5 ttt180 38.3 62.76 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.03 100.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tttt 40.65 89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 110.15 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.687 HG23 ' H ' ' A' ' 78' ' ' MET . 2.4 tt -176.37 -64.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.687 ' H ' HG23 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -80.06 -52.69 1.0 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.06 -44.93 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.935 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -58.24 -46.51 85.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.47 -44.62 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.32 -60.17 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 ' O ' ' A' ' 80' ' ' ALA . 22.9 m -59.06 -28.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.74 -34.06 77.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.02 -51.95 8.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -51.95 -48.55 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -60.61 -53.24 59.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -48.68 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 tpp -56.78 -57.02 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -49.3 -55.27 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.5 mt -48.22 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -29.71 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -65.37 -41.91 93.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.32 -38.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -36.39 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 tt -39.96 -44.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -47.15 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.7 -50.65 32.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -33.99 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.62 -29.64 66.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.06 -61.91 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.12 -39.51 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -59.35 -53.1 62.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.57 -53.95 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.45 -69.04 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 p -41.25 -54.33 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 17' ' ' ILE . 15.1 mm -48.44 -48.75 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.3 -36.2 70.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.05 -19.78 74.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' ILE . 46.1 m-85 38.72 91.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.58 53.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 -56.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.48 172.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.19 65.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.94 -42.5 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 26' ' ' VAL . 41.0 t 50.41 64.5 8.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.02 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.441 1.758 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t 176.06 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -41.89 -47.1 4.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 26' ' ' VAL . 1.2 tp -50.37 -52.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.52 -31.7 66.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.98 -29.65 66.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -44.01 56.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.57 -52.37 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.6 t -60.36 -59.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -51.62 -39.82 46.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.68 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 mt -41.48 -40.46 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.32 -68.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.74 -67.62 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -38.08 -58.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.24 -51.89 29.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' A' ' 55' ' ' VAL . . . -54.01 -32.2 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -77.15 -29.97 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.98 89.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.7 t 66.95 78.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -123.92 -48.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.73 -50.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -45.55 -45.0 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 43' ' ' ALA . 8.8 m -42.02 -57.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 55' ' ' VAL . 41.5 m -47.94 -45.82 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -41.93 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.72 -22.77 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 m -73.31 -48.29 35.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.27 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.51 -47.07 87.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 82' ' ' LEU . 1.6 tp -55.35 -59.44 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.29 -50.31 59.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -55.11 -31.51 61.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.93 -29.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -53.9 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.47 -50.3 62.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -50.07 3.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -49.59 -50.72 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.35 -34.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.29 -29.78 68.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.27 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.698 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.8 tm? -56.04 -45.48 79.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -54.47 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -39.17 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -54.55 41.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -53.64 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mt -51.89 -52.84 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -29.95 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -74.75 -32.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -36.41 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.6 t -88.13 -38.54 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tt -48.79 -43.38 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.83 -51.25 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 98' ' ' LEU . 8.3 tt -65.33 -57.14 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.68 -50.28 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.56 69.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.74 -29.57 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -51.69 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.61 -59.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 17' ' ' ILE . 3.4 m -44.2 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.85 -49.05 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -54.11 -79.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' HG ' ' HH ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -38.92 -48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.548 HD12 HG22 ' A' ' 13' ' ' THR . 39.6 mt -48.04 -55.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.63 -29.96 66.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 -26.91 68.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 21' ' ' LYS . 34.6 p90 177.87 -49.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' N ' ' CD2' ' A' ' 20' ' ' TYR . 9.8 tptt 178.01 -151.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -118.93 -45.14 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 -46.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.3 -149.74 9.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.7 133.05 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 34.0 m -47.45 147.71 2.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -179.72 5.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.571 1.827 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t 74.73 -66.7 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.87 -49.02 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -49.63 -51.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.22 67.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.04 -29.87 70.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.82 -44.78 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.69 -49.03 78.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.25 -45.26 98.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.43 -39.57 90.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.8 t -70.65 -62.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -40.06 -48.0 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 55' ' ' VAL . . . -57.76 -59.23 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -78.63 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -40.97 -57.04 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -52.55 -51.97 40.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -52.72 -29.73 28.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -29.73 25.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -71.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLY . 98.6 t -51.74 -33.97 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 103.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 178.6 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' VAL . 8.1 tptt -76.87 -54.34 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.527 HG22 ' HB1' ' A' ' 39' ' ' ALA . 7.6 p -40.45 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 55' ' ' VAL . 66.1 m -48.47 -52.55 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.61 -34.93 67.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.13 -29.07 65.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 12.5 m -73.63 -47.04 43.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.942 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.49 -36.04 82.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -64.86 -65.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -41.26 81.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.3 tp -55.31 -61.88 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.42 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.4 m -54.79 -33.02 60.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.73 -29.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -77.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.627 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.89 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.85 -53.38 3.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.942 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -49.4 -48.48 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 79' ' ' PRO . 98.7 t -56.8 -37.68 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.61 -29.84 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.95 -55.04 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -41.46 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -48.48 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -49.2 78.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -49.99 -60.73 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.05 -47.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -37.39 61.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 4.2 mtp85 -73.45 -29.95 62.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt -44.3 -62.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.18 -39.79 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.2 tm? -40.68 -37.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.2 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -49.38 75.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -48.32 -49.58 33.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -36.34 69.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.59 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -57.25 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' SER . 17.9 m -60.2 -33.89 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.9 m -60.7 -55.25 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -59.61 -59.71 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.23 -67.42 2.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 14.6 t -41.3 -51.57 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 13' ' ' THR . 29.9 mt -48.58 -50.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.0 -33.51 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.71 74.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 38.73 92.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.75 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.37 15.49 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.38 165.65 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -98.51 164.49 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.4 -112.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -177.07 -59.52 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' GLY . 93.3 t -40.23 100.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.33 4.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.597 ' OG ' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -171.87 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.11 -48.9 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.6 mm -49.58 -51.63 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.63 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.05 -29.78 70.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.7 -46.13 39.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -39.38 94.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -68.52 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -48.07 -48.68 25.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 63.1 m -56.95 -60.65 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 44.2 tp -40.55 -42.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' CG1' ' A' ' 55' ' ' VAL . . . -61.12 -71.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.36 -72.44 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.32 -54.07 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.39 -55.17 13.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -29.87 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.21 -30.79 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -58.5 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLY . 57.1 t -70.99 -65.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 t 79.05 143.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 174.08 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 53' ' ' VAL . 14.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.37 -44.54 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 49.5 t -42.23 -55.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -46.42 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.25 -39.59 72.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.24 -22.25 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -76.16 -41.57 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.38 -46.85 53.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.25 -50.19 74.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 66' ' ' ILE . 30.3 t80 -61.59 -58.99 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.31 -55.71 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.51 60.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -55.11 -30.64 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 62' ' ' PHE . 10.9 mm -77.83 -30.12 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -56.71 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.994 -0.426 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.8 -58.64 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.78 -50.84 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.597 HD11 ' OG ' ' A' ' 28' ' ' SER . 5.3 mt -44.12 -55.66 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.61 -39.83 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -61.86 -31.16 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.4 -61.23 3.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -45.76 -45.67 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -61.3 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mp -43.72 -49.06 8.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmm -51.47 -59.4 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 mtt -46.81 -53.77 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.7 mt -48.91 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.72 -29.92 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -67.21 -39.83 86.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -46.56 8.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.55 -48.62 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -41.64 -34.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.39 -50.85 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.3 -46.34 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CB ' HD13 ' A' ' 96' ' ' LEU . 3.5 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -48.91 -49.5 39.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 0.785 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -35.44 68.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -29.76 65.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.76 -55.19 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.07 -59.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 7.8 m -42.63 -51.84 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -54.04 -52.68 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.09 -69.86 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -41.0 -55.9 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -48.23 -48.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -37.6 70.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.26 -19.64 73.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 47.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.779 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.0 58.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.32 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.0 137.22 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.93 103.83 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -157.67 -89.41 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -39.41 99.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.4 Cg_endo -74.98 78.84 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.2 m -176.05 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.66 -56.27 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -48.01 -47.89 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.6 73.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -46.73 67.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.83 -36.32 82.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' ALA . 72.2 t -62.81 -65.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -50.22 -43.03 42.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.82 -65.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -39.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.63 -68.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.33 -70.22 1.06 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -42.97 -57.03 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.93 -53.27 23.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.71 49.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.36 -30.02 47.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -53.86 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.96 60.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -57.63 161.11 3.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -179.29 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 26.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.52 -45.87 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 56' ' ' SER . 3.9 p -42.27 -56.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG13 ' A' ' 55' ' ' VAL . 1.1 t -48.57 -45.27 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -41.42 73.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.09 -21.85 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.41 ' CG2' HG12 ' A' ' 35' ' ' VAL . 6.2 m -74.28 -52.91 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.461 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.85 69.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.9 -52.96 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD2' HD11 ' A' ' 66' ' ' ILE . 12.2 t80 -63.2 -45.17 92.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -54.23 -58.64 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.89 58.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -55.36 -31.51 61.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.914 HD11 ' CD2' ' A' ' 62' ' ' PHE . 18.6 mt -76.08 -29.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -54.79 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' GLY . . . -70.4 -39.94 74.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.45 -49.05 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -56.55 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 0.776 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.91 -36.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.14 -31.66 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.49 -53.2 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -50.1 -44.02 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -63.87 -56.06 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -44.63 -39.9 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -50.33 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.2 pp -52.06 -48.74 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -54.01 -34.1 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -75.87 -29.91 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.62 -51.4 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.26 -42.05 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.8 -35.63 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -40.86 2.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -47.16 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.38 -48.55 36.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 0.711 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.35 68.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -29.49 65.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.94 -56.17 10.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.97 -50.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.5 m -49.68 -60.85 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 1.7 t80 -50.91 -43.09 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.39 -76.01 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -51.35 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mm -50.03 -51.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -58.27 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' TYR . . . -81.54 -21.39 62.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 36.52 61.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 -62.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 85.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.83 168.56 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.16 -109.27 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 26' ' ' VAL . 14.3 p -138.58 69.98 45.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.07 -176.16 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 28.7 t -59.76 -47.76 84.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tp -41.74 -53.86 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 17.9 mm -49.67 -48.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.6 -38.65 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.06 -29.6 68.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.68 -38.98 67.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.28 -58.1 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 31' ' ' ALA . 9.9 p -55.27 -51.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -52.46 -58.42 11.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -50.63 -45.74 57.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -60.26 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.13 -69.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.27 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.9 t80 -38.67 -53.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.22 -60.72 4.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.16 -29.56 60.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -67.95 -34.23 76.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.7 mtm180 -45.93 -49.13 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER 164.41 -46.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.2 p -60.09 167.93 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.23 108.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 90' ' ' MET . 10.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -65.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -41.64 -53.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -48.17 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.93 -36.39 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.97 -25.61 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.7 m -70.74 -49.79 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -71.18 -36.03 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.68 -49.66 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.8 -42.88 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -59.89 4.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.0 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -55.4 -30.49 60.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 11.8 mm -78.13 -29.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -65.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.64 -54.9 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.36 -53.03 3.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 mt -48.38 -49.58 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 0.796 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.0 t -56.69 -38.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.24 -29.79 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.14 -47.9 34.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm? -59.75 -45.58 91.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -55.37 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -50.47 -40.41 50.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -51.18 70.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.71 ' HG2' HG13 ' A' ' 53' ' ' VAL . 18.3 mtt -54.42 -56.24 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.1 mt -51.04 -54.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.61 -29.88 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.75 -32.46 65.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.75 87.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.91 -36.06 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -46.35 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -56.15 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -54.4 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -47.37 -50.18 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 13' ' ' THR . . . -56.94 -37.1 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.14 -29.86 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -45.82 48.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.22 -55.34 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 14' ' ' PHE . 4.1 t -56.4 -50.33 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' N ' HG23 ' A' ' 13' ' ' THR . 0.4 OUTLIER -45.78 -63.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -56.99 -61.56 7.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -38.68 -64.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.74 -45.45 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.3 t80 -51.06 -44.01 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -19.46 69.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.2 t80 50.73 102.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -142.89 65.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 72.48 95.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -60.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 -97.59 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.3 -131.79 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 26' ' ' VAL . 27.6 m -128.2 91.81 43.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p 179.63 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.0 -50.65 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.33 -50.19 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.69 -35.06 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.66 -29.71 67.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -44.57 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.45 -44.27 91.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.69 -58.54 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.86 -42.49 38.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -40.61 -43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.04 -75.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.34 -71.64 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.52 -50.13 19.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.17 -39.84 57.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -73.76 -29.66 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -49.58 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 47' ' ' SER . 16.6 m -80.05 -51.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 39.32 79.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.0 -48.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -43.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 56' ' ' SER . 33.3 m -43.25 -54.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 55' ' ' VAL . 7.9 t -49.42 -45.63 46.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -39.15 75.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -76.22 -19.65 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.2 m -77.47 -40.82 41.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.27 -39.38 48.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.48 -48.49 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -67.44 -49.01 65.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.37 -57.77 8.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.37 -50.31 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -55.25 -30.14 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mm -78.55 -29.97 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mmt -68.27 -35.53 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.87 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.56 -51.26 3.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -50.15 40.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.72 -35.77 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.52 -54.57 8.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.67 -41.29 77.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HD12 ' A' ' 91' ' ' ILE . 7.7 t -59.88 -57.78 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 -44.08 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 tpp -57.21 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -56.2 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 87' ' ' SER . 3.1 mt -48.63 -62.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.76 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -66.11 -43.33 87.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.42 -32.93 28.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.5 t -86.02 -44.47 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -47.43 -41.5 20.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -40.53 -56.43 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 96' ' ' LEU . 13.0 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.29 -49.28 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.62 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.57 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.93 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.58 -48.27 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -51.64 -66.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -39.11 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.84 -72.86 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -41.2 -50.61 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.27 -51.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.57 -32.86 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.17 -19.94 76.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.9 t80 178.93 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.45 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 -61.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 179.99 119.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.89 136.2 4.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.96 -113.47 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.7 p -150.2 65.17 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.99 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 45.8 p -70.95 -52.41 20.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -41.51 -54.62 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.38 -49.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.23 -40.64 64.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.69 72.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.175 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.09 -47.0 48.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.11 -56.06 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' ALA . 11.1 p -56.91 -54.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -51.97 -33.03 35.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.9 t -66.68 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.2 tp -40.28 -44.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.54 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -52.81 -68.62 1.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -36.3 -56.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.741 . . . . 0.0 110.985 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.94 -53.95 20.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.59 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -78.52 -29.93 46.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -70.56 -32.67 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t 67.75 71.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -132.6 22.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.05 -175.17 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.619 ' O ' HG12 ' A' ' 53' ' ' VAL . 58.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -87.44 -50.77 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 59' ' ' THR . 50.1 t -39.78 -49.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -53.77 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.08 -33.64 65.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -32.22 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 55' ' ' VAL . 16.5 p -78.57 -36.1 44.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -68.2 -38.58 82.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -70.86 -55.62 8.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' THR . 7.3 tt -60.42 -56.37 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' MET . . . -47.09 -61.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -54.54 -29.18 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 64' ' ' ALA . 13.6 ptt? -90.08 -29.57 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 67' ' ' MET . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.952 -0.441 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.96 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -52.59 3.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.0 mt -50.12 -48.75 53.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -36.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.38 -29.72 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.59 -50.64 14.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt -60.37 -41.45 93.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.17 -52.92 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.15 -46.49 89.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -56.55 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.2 mm -51.65 -53.38 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -29.97 59.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -31.89 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.89 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.1 t -46.65 -42.72 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.19 -38.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -45.65 -48.61 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -40.21 76.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -48.38 -49.84 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.74 69.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.77 66.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -59.01 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -54.01 -46.72 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' PHE . 27.5 m -54.5 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.1 t80 -37.32 -43.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -77.35 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.0 m -39.62 -50.5 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' O ' ' A' ' 13' ' ' THR . 1.6 mp -48.75 -53.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.84 -30.52 67.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.05 -24.33 69.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -68.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 179.55 174.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.77 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.34 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.63 96.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.36 -72.15 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.91 106.25 36.86 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -178.15 -62.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' ILE . 3.9 pp -42.1 -48.18 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 29' ' ' LEU . 32.6 mm -49.55 -52.02 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.71 70.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -37.18 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.03 -42.04 81.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.6 p -69.87 -47.54 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -58.05 -50.19 68.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.74 -65.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.68 -41.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.02 -67.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -71.07 0.82 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -61.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -48.62 -50.28 25.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.69 50.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -32.99 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 42' ' ' GLY . 8.3 p -98.47 44.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.66 -179.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -132.99 55.49 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -42.17 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 56' ' ' SER . 19.1 m -42.51 -52.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 55' ' ' VAL . 3.6 m -48.86 -48.09 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -37.43 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 32.5 t80 -73.73 -22.32 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -76.46 -45.07 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.56 -48.33 64.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.84 -52.42 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 46.2 t80 -63.66 -37.63 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 66' ' ' ILE . 10.1 tp -58.26 -71.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -45.83 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -50.57 -47.02 58.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.5 tt -67.14 -29.36 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.27 84.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.946 -0.444 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.86 -54.88 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -48.89 -50.2 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.04 -36.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.97 -29.76 69.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.05 -58.76 5.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.69 -42.07 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -60.68 -53.51 56.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.47 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -53.52 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -55.77 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.8 mm -50.73 -55.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -29.89 53.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -35.04 71.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -48.03 83.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.4 -46.67 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.69 -29.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 tt -41.09 -42.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -44.87 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 12' ' ' VAL . 25.8 t80 -48.04 -48.37 33.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -55.63 -38.16 69.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.53 66.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -73.11 -64.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 8' ' ' TYR . 7.0 p -52.7 -33.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 2.4 m -64.67 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.43 -65.75 3.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 47.7 t -38.85 -63.84 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 mm -46.11 -46.17 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.5 t80 -51.46 -44.29 62.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.84 -19.63 72.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 112.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -142.91 63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 63.62 113.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.59 165.58 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.06 153.5 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.54 31.39 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.4 p -164.75 83.76 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.44 3.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -168.48 -72.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.91 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' ALA . 1.8 tt -50.37 -52.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.887 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -57.36 -32.17 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.89 -29.58 66.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -76.43 -38.37 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -54.35 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' ALA . 30.5 m -69.33 -35.19 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.51 -29.87 71.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 3.9 m -79.35 -41.18 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -60.09 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -62.43 -45.47 92.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.09 -79.67 0.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 11.7 t80 -42.83 -54.78 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -52.83 -51.5 44.72 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.03 -31.91 43.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -83.0 -28.76 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -59.24 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 42' ' ' GLY . 14.2 m -51.33 -32.91 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.1 p -164.53 179.73 6.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 53.72 90.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 67.3 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' VAL . 65.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 56' ' ' SER . 16.4 m -40.65 -52.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -47.89 -51.0 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -37.81 68.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.83 -29.08 67.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 m -74.34 -45.09 49.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -64.16 -39.78 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.96 -49.54 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.914 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 t80 -59.25 -42.35 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -59.01 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.63 -55.42 13.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.74 -30.0 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.419 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.914 HD12 ' O ' ' A' ' 62' ' ' PHE . 1.1 mt -72.86 -32.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 tpt -85.55 -68.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.03 4.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.68 -50.06 4.01 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.91 -50.46 46.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.45 -34.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.84 -29.76 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.27 -50.64 8.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 60' ' ' ALA . 2.0 tm? -57.56 -42.96 84.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -56.79 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tp -44.03 -44.78 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -56.34 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 ttm -50.46 -53.28 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mm -50.89 -55.83 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -53.89 -29.92 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.2 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.4 m -49.78 -39.18 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.04 -51.34 3.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 tp -40.53 -50.44 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -60.25 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.64 -49.97 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -57.1 -35.22 69.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.6 65.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -67.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -50.38 -44.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 12.1 m -53.78 -69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -45.17 -38.81 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.57 -80.93 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.13 -50.07 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mm -48.31 -53.1 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.91 -31.5 68.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.01 -23.05 72.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.34 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -173.19 -161.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -110.29 -48.41 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 163.62 108.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.7 -142.81 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.34 59.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 27' ' ' PRO . 70.6 t 63.87 142.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.88 -61.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.9 -50.38 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -48.84 -51.17 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.62 -36.82 67.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.79 -29.78 72.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.97 13.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.97 -46.56 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 59' ' ' THR . 17.1 t -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -44.45 -42.21 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.14 -40.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.69 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.67 -67.05 2.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -37.27 -58.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.5 -51.01 45.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -30.56 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.653 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-85 -84.06 -29.43 26.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -32.35 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TYR . 40.4 t 66.69 52.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 p -108.8 -43.27 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -86.09 -26.52 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.27 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -77.4 -36.19 53.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -42.03 -56.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -47.4 -46.46 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.17 -42.55 73.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.28 -23.09 61.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -73.59 -51.68 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -62.94 -49.23 75.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -55.61 -51.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.99 -36.99 85.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.12 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.65 -44.31 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -48.91 -48.16 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.957 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.3 tt -70.9 -28.44 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.5 ttt -61.7 -47.21 86.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.33 -52.87 33.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.55 -50.48 3.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -49.94 -50.33 46.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.17 -34.15 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.26 -29.78 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.5 -46.04 34.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -62.48 -44.54 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.08 -46.24 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -50.13 68.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.02 -54.99 35.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.59 -58.76 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -29.85 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.31 -38.67 81.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -51.95 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.26 -30.53 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.419 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -51.84 -37.86 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.0 mt -41.45 -45.85 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -52.93 33.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -47.63 -50.92 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -35.69 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.44 -29.83 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.41 -53.25 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.3 t -53.26 -51.76 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -52.69 -57.66 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -59.06 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.0 -66.04 3.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLY . 7.6 t -38.28 -64.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -45.4 -46.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.8 t80 -50.78 -45.42 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.27 -19.61 74.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.55 107.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -171.9 61.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -179.65 3.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.36 -56.89 0.51 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.26 88.71 1.23 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.65 94.62 33.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.05 150.98 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER 84.91 -65.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 29' ' ' LEU . 6.5 mp -42.1 -52.3 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pp -49.38 -49.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -54.47 -38.08 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.61 70.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -63.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.741 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.61 -46.6 67.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 31' ' ' ALA . 53.9 t -59.69 -70.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -39.99 -48.53 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -54.96 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 6.1 tp -40.49 -37.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.96 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.99 -66.64 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -43.26 -57.4 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.36 -52.25 28.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 -31.55 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.7 -29.89 51.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -66.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.07 -51.52 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t 53.24 102.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 178.71 55.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -40.26 -58.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 56' ' ' SER . 7.4 m -41.23 -59.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.596 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -47.63 -45.62 27.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -43.27 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.8 -24.58 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' CG1' ' A' ' 35' ' ' VAL . 3.1 m -72.92 -50.04 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -66.24 -39.26 89.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' THR . 24.5 t80 -59.67 -56.94 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 m-85 -59.87 -41.98 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 59' ' ' THR . 2.6 mm? -57.41 -76.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.21 -43.09 9.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.4 m -48.12 -49.29 32.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.9 pt -70.8 -28.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -70.77 -55.91 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.905 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -70.31 -39.68 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.12 -44.63 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.91 -60.71 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 80' ' ' ALA . 32.6 m -60.12 -29.54 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -32.76 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.75 -52.41 5.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ALA . 55.4 tp -49.55 -46.99 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -64.84 -59.26 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.26 -43.21 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.0 mtt -63.13 -56.39 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.0 ttm -50.55 -53.26 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -51.31 -54.68 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -29.91 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.65 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -39.7 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.42 -52.23 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -48.29 -33.44 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -43.98 -55.38 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -52.19 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -47.83 -49.7 28.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 13' ' ' THR . . . -56.79 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -69.0 -29.88 68.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -41.72 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -51.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 20.3 p -54.39 -49.81 69.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -56.33 16.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 -68.14 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.14 -58.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 13' ' ' THR . 67.9 mt -48.37 -47.48 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.82 -38.57 67.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.78 -19.69 69.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.58 104.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -165.61 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.25 149.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.27 -58.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.73 -114.06 1.04 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 111.88 96.81 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 162.93 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -175.52 2.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -123.01 25.22 8.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.93 -52.03 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.662 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -48.27 -50.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -54.2 -39.39 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.91 73.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -56.66 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.68 -41.05 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' CG2' ' A' ' 59' ' ' THR . 3.1 t -65.3 -67.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -42.23 -45.61 5.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.16 -66.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -37.63 -43.43 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.06 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.27 -72.21 0.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -39.72 -55.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.98 -54.72 17.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.61 -30.24 41.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -79.15 -31.13 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -69.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLY . 38.4 t -91.47 59.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.2 141.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.48 -46.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 53' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -35.63 60.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 56' ' ' SER . 28.8 m -41.83 -55.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 55' ' ' VAL . 23.1 m -46.99 -47.77 21.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -42.22 73.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -71.77 -23.02 61.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' CG1' ' A' ' 35' ' ' VAL . 2.7 m -75.07 -47.57 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.59 -45.64 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.77 -49.11 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.54 -54.13 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.81 -57.63 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.51 47.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.6 m -54.49 -32.53 58.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 26.1 mm -77.39 -29.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -70.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.533 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.04 -52.99 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.567 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -49.66 -49.5 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 79' ' ' PRO . 76.6 t -56.7 -36.26 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.57 -31.33 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.99 -62.54 3.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.32 -40.7 49.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -60.92 -64.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -40.15 -41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 mtt -63.43 -51.38 65.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -54.96 37.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.67 -58.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.61 -29.86 39.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -37.97 79.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -62.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.93 -43.77 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.09 -34.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -51.34 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -46.76 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -47.9 -49.83 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.54 70.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.6 67.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -46.18 56.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.81 -60.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -51.72 -50.76 59.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.67 -63.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -60.13 -61.83 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.39 -66.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -44.12 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.5 t80 -50.62 -43.22 56.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.76 -19.59 65.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.31 132.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.4 -176.58 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -73.76 -40.94 63.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 6.4 mtp180 159.75 -176.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.01 79.55 0.59 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 26' ' ' VAL . . . 179.33 -63.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 25' ' ' GLY . 5.8 m -151.62 93.53 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.65 10.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 m -99.19 -64.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.08 -50.25 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 31' ' ' ALA . 2.7 pp -49.12 -50.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' N ' HD12 ' A' ' 30' ' ' ILE . . . -55.74 -36.59 67.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.14 -29.67 72.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.36 -40.63 50.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.73 -45.87 87.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.3 p -66.3 -49.67 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.49 -36.75 64.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.157 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -67.91 -61.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.4 tp -39.76 -50.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -55.17 -64.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.61 -78.83 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -39.44 -59.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -50.51 -51.17 33.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.35 -32.46 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -78.77 -29.82 45.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -76.19 -46.7 27.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' GLY . 14.0 p -80.84 -31.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.33 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.39 -43.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -48.35 -49.71 33.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 56.1 t -41.51 -58.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.71 -45.77 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -54.41 -42.73 70.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -72.24 -23.6 61.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -73.87 -61.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -59.56 -40.46 87.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 79.6 t80 -60.2 -51.71 68.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.34 -34.85 79.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -61.52 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.29 -46.54 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -51.43 -41.79 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.76 -29.79 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -60.9 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.444 1.09 . . . . 0.0 110.948 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.89 -57.28 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -39.85 -52.46 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.5 tp -47.44 -50.88 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -56.77 -38.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -64.04 -30.7 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.09 -52.4 14.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 60' ' ' ALA . 1.9 tm? -54.28 -45.06 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.54 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -46.26 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -60.36 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.92 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mm -52.23 -51.35 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.26 -30.22 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -33.64 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.97 -49.7 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -43.18 -39.97 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.06 -51.21 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -46.41 63.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -48.79 -48.95 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.42 68.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.68 65.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -59.34 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -54.78 -52.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -53.3 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -40.94 -37.72 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -65.33 -86.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 36.1 t -38.9 -49.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.802 . . . . 0.0 110.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 17' ' ' ILE . 24.0 mm -48.49 -54.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.26 -30.08 66.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . -77.39 -24.38 65.81 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER 36.36 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -174.93 -173.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.44 51.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.58 -177.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.38 58.91 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.98 -54.93 3.49 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 155.58 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.9 p -136.64 15.33 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -53.02 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -47.94 -50.03 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -53.94 -40.43 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 35' ' ' VAL . . . -66.91 -30.31 75.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -59.3 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -51.19 -53.3 36.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' ALA . 33.6 m -60.42 -35.89 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.18 -74.07 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 27.3 p -49.1 -29.18 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 34' ' ' PHE . 1.2 mt -58.9 -61.38 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.21 -51.5 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.33 -80.52 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 3.5 t80 -47.31 -55.58 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.08 -52.78 16.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.92 -37.0 63.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -75.47 -27.96 59.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.23 -53.4 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.82 -23.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -169.05 177.77 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.32 164.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -41.83 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 56' ' ' SER . 14.2 p -41.3 -53.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 55' ' ' VAL . 3.0 m -47.49 -49.73 25.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.24 71.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -26.58 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -74.06 -48.84 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.93 98.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.62 -53.29 58.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.39 -46.11 87.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -50.07 -54.51 19.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 p -55.8 -29.9 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.432 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.21 -30.5 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ttt -86.96 -61.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.83 -49.3 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.33 -53.99 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.37 -49.57 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.631 ' HA ' HD12 ' A' ' 86' ' ' LEU . 99.4 t -55.88 -40.66 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -50.18 12.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.2 mt -55.88 -39.46 71.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.11 19.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -41.43 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -44.19 89.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.3 mtt -56.49 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 tp -50.24 -47.33 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.64 -39.2 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -72.22 -29.82 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -44.89 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' LEU . 41.5 t -89.0 -45.05 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -40.34 -29.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -40.15 -35.37 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -54.09 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -47.75 -48.59 29.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -38.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.22 -29.59 67.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.08 -52.63 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.6 -59.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 41.7 m -42.16 -55.64 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -49.53 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -63.28 -73.6 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.69 -52.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -49.64 -52.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -31.59 62.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . -80.35 -24.84 58.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 49.24 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.1 102.27 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.62 82.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.18 -48.99 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.86 -118.46 0.76 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 92.24 91.26 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 163.49 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.95 -170.75 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 -37.19 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.74 -51.53 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.7 mt -48.42 -50.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -55.26 -38.13 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.61 -29.89 74.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -72.08 -45.86 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.22 -51.62 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 31' ' ' ALA . 12.1 p -61.01 -41.34 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.02 -47.57 72.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.5 m -61.37 -61.68 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . 7.4 tt -38.42 -45.55 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.589 ' HB1' ' CG2' ' A' ' 55' ' ' VAL . . . -58.31 -66.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.57 -75.46 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -38.79 -55.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -51.58 -54.1 26.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.46 -31.15 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -82.94 -33.2 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -74.88 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 74.6 t -68.9 91.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.9 m 77.92 173.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.81 156.68 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -43.51 64.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.589 ' CG2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -42.74 -51.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -49.37 -47.82 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.14 -38.16 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -75.13 -21.65 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -76.44 -43.46 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -76.5 -32.82 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 9.6 t80 -66.7 -53.26 35.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.07 -50.37 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 82' ' ' LEU . 1.3 tp -55.31 -57.29 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.36 -51.26 56.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 m -55.5 -30.67 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -76.72 -30.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -58.33 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.19 81.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.53 -51.42 3.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -48.63 -50.3 33.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.57 -36.76 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.48 -29.83 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.03 -49.49 16.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.95 -46.86 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -56.6 19.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -48.23 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.0 -45.79 92.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -60.94 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.34 -47.82 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -32.39 60.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -37.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -42.79 -47.68 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.22 -36.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.66 -51.32 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.07 -49.37 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 12' ' ' VAL . . . -56.66 -36.85 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -29.59 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -62.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 9' ' ' ALA . 10.8 p -48.93 -43.44 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -60.76 -65.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.1 t80 -41.52 -38.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -67.44 -64.91 2.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.09 -61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 18' ' ' PHE . 2.2 pp -49.7 -45.41 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.436 ' N ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -52.07 -40.01 60.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.39 -21.94 63.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -76.11 66.03 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.56 -62.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.23 107.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 103.12 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.45 -137.44 4.85 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 27' ' ' PRO . 7.7 p -54.67 141.1 56.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 86.71 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.03 -62.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.36 -50.18 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.31 66.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.71 -29.84 70.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -46.28 63.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 59' ' ' THR . 14.4 t -65.06 -74.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -38.11 -35.84 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' LEU . 11.0 m -63.1 -68.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -40.4 -36.55 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.38 -67.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -68.17 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -41.92 -56.35 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.38 -54.18 17.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.84 -31.77 50.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -77.26 -30.57 54.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.02 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t 48.76 78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -140.13 -60.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -89.99 -58.01 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -45.36 -48.15 13.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 56' ' ' SER . 11.4 m -41.15 -57.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -47.52 -46.82 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -42.71 68.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.36 -26.04 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.77 HG21 HG13 ' A' ' 35' ' ' VAL . 28.4 m -74.42 -40.94 61.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -70.6 -39.58 73.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.77 -53.47 53.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.58 -65.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.833 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -41.74 -55.44 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.9 -49.9 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -55.12 -30.12 59.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 63' ' ' LEU . 10.2 mt -79.3 -29.9 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -60.04 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.69 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.31 -52.17 3.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD12 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -48.25 -50.41 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.84 -37.92 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -30.97 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.32 -55.82 8.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.51 -45.16 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -57.61 -56.07 26.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -46.87 -42.26 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -48.62 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.0 ttp -52.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.64 -46.9 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.0 tp -52.28 -40.39 61.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -71.59 -29.78 65.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.86 -47.18 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 -41.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' LEU . 8.9 tp -45.16 -31.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -38.7 9.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -37.97 79.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LEU . 2.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.31 -49.69 33.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.9 69.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.27 -29.57 66.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -48.91 55.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.04 -49.29 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 17' ' ' ILE . 2.5 m -53.67 -57.33 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.42 -58.29 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.95 -67.31 2.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.17 -58.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.989 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 13' ' ' THR . 1.4 mp -48.04 -47.15 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -54.64 -39.37 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.16 -19.62 71.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.3 t80 39.07 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 97.79 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 67.57 103.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -153.44 138.22 17.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.01 167.64 11.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . 172.79 -83.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.5 m -38.88 99.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.01 70.16 5.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -175.89 -67.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.14 -51.43 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -50.0 -49.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.05 -36.63 65.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.08 -29.6 68.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -77.96 -34.74 50.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.724 . . . . 0.0 109.256 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.3 -45.89 68.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.9 p -68.83 -47.13 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.47 -50.13 61.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.96 -58.12 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.48 -46.26 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.74 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.7 m-85 -42.22 -53.21 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -47.67 -61.95 4.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . -53.02 -27.85 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -69.98 -38.24 76.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.09 -36.24 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 42' ' ' GLY . 18.9 m -119.38 -146.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -174.99 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.0 -84.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' SER . 7.9 t70 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -34.16 73.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -40.5 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -51.89 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -34.01 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.93 -29.04 63.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -72.67 -51.65 18.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 59' ' ' THR . . . -60.37 -47.69 84.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.14 -52.11 65.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.784 ' CE2' HD11 ' A' ' 66' ' ' ILE . 9.2 t80 -63.75 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -67.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.17 -49.69 41.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 m -53.04 -37.28 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.784 HD11 ' CE2' ' A' ' 62' ' ' PHE . 51.4 mt -74.0 -29.91 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.2 ttm -77.47 -66.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.52 -54.3 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.6 -50.7 2.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -54.56 6.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.28 -39.11 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.97 -29.96 71.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.21 -56.82 6.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 60' ' ' ALA . 4.6 tp -49.67 -46.45 49.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.63 -39.52 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -62.8 -51.81 65.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.52 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.56 -56.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -29.9 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -35.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.91 -70.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 55.4 t -52.44 -47.77 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -40.57 -35.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.99 -48.93 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -57.37 -48.8 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -50.01 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.19 -39.27 72.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.03 -30.39 70.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.78 -55.7 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.4 -54.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' PHE . 3.6 m -53.64 -59.9 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -37.56 -53.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -64.94 -59.82 7.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -39.56 -61.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -53.75 -42.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -51.55 -36.71 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.04 -19.34 47.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 33.9 t80 47.71 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -107.41 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -162.87 124.78 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -170.75 147.99 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.9 -129.6 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.12 60.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HD2' ' A' ' 27' ' ' PRO . 76.5 t 63.09 142.94 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.686 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.07 64.3 6.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -178.72 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -51.39 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 31' ' ' ALA . 2.4 tp -49.99 -49.81 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -55.04 -36.52 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.02 -29.64 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.92 -40.0 63.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.75 -50.66 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.99 -52.41 31.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 t -57.52 -57.66 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.4 -47.63 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.86 -58.68 7.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.67 -76.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -37.26 -59.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.54 -58.0 7.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -53.1 -30.12 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 1.4 t80 -72.03 -36.0 69.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' C ' HG12 ' A' ' 46' ' ' VAL . 7.9 mtp85 -43.98 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' C ' ' A' ' 45' ' ' ARG . 1.3 p 174.95 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -67.61 74.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER 165.39 116.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LYS . 12.6 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -36.55 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 56' ' ' SER . 6.6 m -41.76 -58.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.572 ' H ' HG23 ' A' ' 55' ' ' VAL . 5.2 t -48.31 -45.21 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.59 -42.04 70.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.24 -23.31 60.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -74.49 -46.68 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.75 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -63.51 -48.41 77.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.25 -46.33 87.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -57.57 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.25 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.35 -29.95 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.47 -43.32 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.59 -52.07 3.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -49.7 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.11 -37.35 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.83 -29.86 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.77 34.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.4 -49.93 75.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -55.8 -52.02 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -47.14 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -49.75 69.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.11 -56.18 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.54 -53.41 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -29.86 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -30.63 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.15 -42.14 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.8 t -80.22 -48.03 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -45.46 -35.04 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -45.49 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.83 -47.99 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.23 -50.67 20.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.24 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.23 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.97 -54.98 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -52.81 -61.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -45.69 -49.3 14.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -49.97 -50.22 47.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -68.44 -61.67 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.28 -59.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 14' ' ' PHE . 1.6 tp -55.01 -43.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -53.93 -33.21 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.3 -19.61 45.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 51.08 99.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 -176.52 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.92 -73.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 164.04 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.8 -43.43 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' ' CG2' ' A' ' 26' ' ' VAL . . . 75.84 -155.41 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG2' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER 40.48 87.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.801 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.82 42.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.81 -57.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.85 -48.65 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.09 -52.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.29 69.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.89 75.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -78.08 -34.96 49.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.06 -57.43 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.04 -50.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.4 24.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 40.5 t -57.23 -43.94 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -46.32 -64.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -59.54 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -36.26 -78.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 32.0 t80 -36.87 -57.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.736 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.17 -54.62 8.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.92 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -72.97 -29.76 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.855 ' O ' HG13 ' A' ' 46' ' ' VAL . 6.0 tpt180 -80.43 -65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 175.65 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 71.49 -169.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 9.7 m-80 71.62 81.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.7 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.92 -45.96 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' SER . 12.7 m -41.67 -51.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' VAL . 58.5 m -47.35 -50.42 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -38.34 74.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.66 -24.78 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -74.24 -49.8 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.69 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.757 ' O ' HG23 ' A' ' 65' ' ' THR . 13.4 t80 -61.37 -54.02 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -60.04 -32.18 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.51 -54.28 18.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.8 p -56.14 -30.89 62.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 62' ' ' PHE . 15.4 mt -75.04 -30.01 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -66.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.07 -0.396 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.02 -39.88 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.59 -57.25 1.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -49.03 -48.5 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.03 -37.93 57.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.59 69.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.46 -60.09 4.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.9 tp -52.49 -44.82 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -54.39 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -50.87 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.01 -53.41 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.72 -56.76 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' A' ' 94' ' ' LEU . 18.8 mt -53.52 -49.18 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 95' ' ' VAL . 3.2 mp -54.35 -29.92 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -81.2 -29.79 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 91' ' ' ILE . 13.9 mt -60.42 -34.07 73.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 92' ' ' LEU . 33.9 m -81.38 -31.64 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -47.72 67.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.64 -61.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.65 -57.43 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.72 -49.84 36.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.08 69.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 14' ' ' PHE . . . -70.81 -29.61 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -51.71 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.58 -57.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.9 m -47.3 -66.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 30.6 t80 -51.02 -55.22 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -47.36 -75.75 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -39.18 -50.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.947 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.433 ' HA ' ' CB ' ' A' ' 21' ' ' LYS . 69.7 mt -49.17 -54.08 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -29.9 64.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.32 62.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 177.88 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -39.35 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ARG . 6.0 ptt180 176.38 59.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.02 142.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -56.27 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.04 155.14 7.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.846 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -76.1 -51.68 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.753 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.95 112.21 3.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER 159.52 -179.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.36 -43.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.7 mm -47.33 -57.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 26' ' ' VAL . . . -58.22 -32.16 68.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -30.56 75.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -37.21 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.07 -53.27 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.49 -52.6 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.48 -47.87 35.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.6 t -65.07 -40.88 95.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tt -48.15 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -57.25 -66.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ALA . . . -36.91 -71.91 0.17 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.416 ' O ' ' HB3' ' A' ' 44' ' ' TYR . 31.8 t80 -39.07 -53.3 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.08 -52.8 37.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.17 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -83.76 -28.83 27.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.734 ' C ' HG12 ' A' ' 46' ' ' VAL . 1.3 ttp180 -45.83 -53.92 8.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.734 HG12 ' C ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 166.0 76.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.11 -67.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -149.97 112.09 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.13 -40.25 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.0 t -41.94 -58.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -44.47 43.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.28 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.86 -23.13 58.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -72.59 -55.19 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -66.92 -39.59 87.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.88 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 66' ' ' ILE . 49.5 t80 -61.87 -36.71 82.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.65 -61.69 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.99 -51.33 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -54.62 -29.84 53.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 62' ' ' PHE . 10.5 mm -81.06 -29.81 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -62.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.935 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -58.24 -46.51 85.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.47 -44.62 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.32 -60.17 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 ' O ' ' A' ' 80' ' ' ALA . 22.9 m -59.06 -28.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.74 -34.06 77.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.02 -51.95 8.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -51.95 -48.55 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -60.61 -53.24 59.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -48.68 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 tpp -56.78 -57.02 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -49.3 -55.27 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.5 mt -48.22 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -29.71 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -65.37 -41.91 93.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.32 -38.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -36.39 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 tt -39.96 -44.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -47.15 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.499 0.19 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.6 124.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.97 74.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -119.37 173.8 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -37.83 124.52 1.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 10.7 t80 -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.19 -54.4 1.58 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.7 -50.65 32.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -33.99 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.62 -29.64 66.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.06 -61.91 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.12 -39.51 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -59.35 -53.1 62.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.57 -53.95 47.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.45 -69.04 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 p -41.25 -54.33 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 17' ' ' ILE . 15.1 mm -48.44 -48.75 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.3 -36.2 70.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.05 -19.78 74.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' ILE . 46.1 m-85 38.72 91.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.58 53.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 -56.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.48 172.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.19 65.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.94 -42.5 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 26' ' ' VAL . 41.0 t 50.41 64.5 8.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.02 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.441 1.758 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t 176.06 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -41.89 -47.1 4.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 26' ' ' VAL . 1.2 tp -50.37 -52.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.52 -31.7 66.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.98 -29.65 66.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -44.01 56.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.57 -52.37 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.6 t -60.36 -59.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -51.62 -39.82 46.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.68 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 mt -41.48 -40.46 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.32 -68.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.74 -67.62 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -38.08 -58.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.24 -51.89 29.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' A' ' 55' ' ' VAL . . . -54.01 -32.2 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -77.15 -29.97 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.98 89.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.7 t 66.95 78.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -123.92 -48.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.73 -50.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.93 156.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -178.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.613 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -83.58 169.79 15.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.49 ' OD1' HG23 ' A' ' 53' ' ' VAL . 1.3 p30 -56.75 177.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.49 HG23 ' OD1' ' A' ' 52' ' ' ASP . 24.0 t 67.62 -75.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASP . 1.3 mttp -45.55 -45.0 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 43' ' ' ALA . 8.8 m -42.02 -57.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 55' ' ' VAL . 41.5 m -47.94 -45.82 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -41.93 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.72 -22.77 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 m -73.31 -48.29 35.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.27 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.51 -47.07 87.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 82' ' ' LEU . 1.6 tp -55.35 -59.44 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.29 -50.31 59.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -55.11 -31.51 61.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.93 -29.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -53.9 12.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.98 -60.09 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 69' ' ' VAL . 14.9 p -83.57 100.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.57 158.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -38.26 142.09 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.29 121.41 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 119.77 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.45 179.7 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 172.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.49 179.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 20.75 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.503 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -59.89 -51.09 83.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -55.63 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.47 -50.3 62.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -50.07 3.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -49.59 -50.72 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.35 -34.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.29 -29.78 68.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.27 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.8 tm? -56.04 -45.48 79.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -54.47 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -39.17 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -54.55 41.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -53.64 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mt -51.89 -52.84 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -29.95 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -74.75 -32.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -36.41 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.6 t -88.13 -38.54 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tt -48.79 -43.38 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.83 -51.25 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 98' ' ' LEU . 8.3 tt -65.33 -57.14 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.547 0.213 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.45 151.24 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 41.76 67.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.1 tt -152.77 130.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -38.55 118.05 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 20.7 t80 -60.57 -56.49 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.18 -54.93 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -48.68 -50.28 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.56 69.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.74 -29.57 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -51.69 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.61 -59.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 17' ' ' ILE . 3.4 m -44.2 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.85 -49.05 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -54.11 -79.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' HG ' ' HH ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -38.92 -48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.548 HD12 HG22 ' A' ' 13' ' ' THR . 39.6 mt -48.04 -55.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.63 -29.96 66.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 -26.91 68.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 21' ' ' LYS . 34.6 p90 177.87 -49.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' N ' ' CD2' ' A' ' 20' ' ' TYR . 9.8 tptt 178.01 -151.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -118.93 -45.14 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 -46.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.3 -149.74 9.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.7 133.05 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 34.0 m -47.45 147.71 2.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -179.72 5.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.571 1.827 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t 74.73 -66.7 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -41.87 -49.02 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -49.63 -51.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.22 67.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.04 -29.87 70.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.82 -44.78 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.69 -49.03 78.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.25 -45.26 98.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.43 -39.57 90.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.8 t -70.65 -62.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -40.06 -48.0 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 55' ' ' VAL . . . -57.76 -59.23 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -78.63 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -40.97 -57.04 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -52.55 -51.97 40.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -52.72 -29.73 28.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -29.73 25.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -71.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLY . 98.6 t -51.74 -33.97 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 103.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 178.6 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.59 93.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.45 112.71 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.0 -61.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -162.46 -62.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.36 28.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' VAL . 8.1 tptt -76.87 -54.34 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.527 HG22 ' HB1' ' A' ' 39' ' ' ALA . 7.6 p -40.45 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 55' ' ' VAL . 66.1 m -48.47 -52.55 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.61 -34.93 67.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.13 -29.07 65.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 12.5 m -73.63 -47.04 43.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.942 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.49 -36.04 82.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -64.86 -65.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -41.26 81.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.3 tp -55.31 -61.88 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.42 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.4 m -54.79 -33.02 60.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mt -75.73 -29.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -77.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.53 22.43 3.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.8 p -155.03 70.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -150.41 46.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 56.34 47.29 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' ARG . 3.8 mmpt? -94.78 -169.87 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER 79.46 -54.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.8 p -39.36 138.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.33 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 64.11 138.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 77' ' ' ILE . 1.8 mp -75.21 70.51 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.98 154.59 0.37 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.627 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.95 104.69 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.89 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.85 -53.38 3.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.942 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -49.4 -48.48 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 79' ' ' PRO . 98.7 t -56.8 -37.68 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.61 -29.84 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.95 -55.04 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -41.46 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.74 -48.48 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -49.2 78.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -49.99 -60.73 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.05 -47.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -37.39 61.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 4.2 mtp85 -73.45 -29.95 62.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt -44.3 -62.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -70.18 -39.79 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.2 tm? -40.68 -37.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.2 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -49.38 75.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.488 0.185 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 4' ' ' ILE . 11.1 m-20 -171.06 -55.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.07 70.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -164.41 156.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -39.79 138.72 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 5.0 m-85 -87.13 -55.1 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.19 -56.46 1.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -48.32 -49.58 33.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -36.34 69.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.59 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -57.25 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' SER . 17.9 m -60.2 -33.89 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.9 m -60.7 -55.25 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -59.61 -59.71 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.23 -67.42 2.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 14.6 t -41.3 -51.57 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 13' ' ' THR . 29.9 mt -48.58 -50.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.0 -33.51 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.71 74.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 38.73 92.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.75 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.37 15.49 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.38 165.65 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -98.51 164.49 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.4 -112.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -177.07 -59.52 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' GLY . 93.3 t -40.23 100.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.33 4.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.597 ' OG ' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -171.87 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.11 -48.9 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.6 mm -49.58 -51.63 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.63 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.05 -29.78 70.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.7 -46.13 39.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -39.38 94.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -68.52 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -48.07 -48.68 25.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 63.1 m -56.95 -60.65 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 44.2 tp -40.55 -42.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' CG1' ' A' ' 55' ' ' VAL . . . -61.12 -71.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.36 -72.44 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -41.32 -54.07 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.39 -55.17 13.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -29.87 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.21 -30.79 60.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -58.5 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLY . 57.1 t -70.99 -65.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 t 79.05 143.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 174.08 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.5 79.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -97.08 -160.61 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 64.52 132.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.7 m-20 68.9 127.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 53' ' ' VAL . 14.8 p -70.88 60.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -89.37 -44.54 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 49.5 t -42.23 -55.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -46.42 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.25 -39.59 72.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.24 -22.25 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -76.16 -41.57 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.38 -46.85 53.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.25 -50.19 74.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 66' ' ' ILE . 30.3 t80 -61.59 -58.99 5.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.31 -55.71 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.51 60.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -55.11 -30.64 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 62' ' ' PHE . 10.9 mm -77.83 -30.12 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -56.71 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.27 62.36 1.9 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.61 153.88 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 153.15 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -68.79 -58.32 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -146.28 138.03 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.99 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.76 119.48 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 104.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.55 173.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 77' ' ' ILE . 60.3 mt 59.03 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.19 158.07 4.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 53.21 3.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.8 -58.64 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.78 -50.84 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.597 HD11 ' OG ' ' A' ' 28' ' ' SER . 5.3 mt -44.12 -55.66 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.61 -39.83 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -61.86 -31.16 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.4 -61.23 3.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -45.76 -45.67 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -61.3 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mp -43.72 -49.06 8.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmm -51.47 -59.4 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 mtt -46.81 -53.77 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.7 mt -48.91 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.72 -29.92 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -67.21 -39.83 86.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -46.56 8.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.55 -48.62 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -41.64 -34.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.39 -50.85 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.3 -46.34 62.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CB ' HD13 ' A' ' 96' ' ' LEU . 3.5 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.515 0.198 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.54 152.13 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 pp -140.32 105.79 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 tt -174.92 -47.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.94 61.77 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.67 -54.8 6.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.763 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.3 -56.08 1.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -48.91 -49.5 39.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 0.785 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -35.44 68.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -29.76 65.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.76 -55.19 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.07 -59.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 7.8 m -42.63 -51.84 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -54.04 -52.68 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.09 -69.86 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -41.0 -55.9 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -48.23 -48.08 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -37.6 70.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.26 -19.64 73.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 47.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.779 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.0 58.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.32 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.0 137.22 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.93 103.83 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . -157.67 -89.41 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -39.41 99.77 0.2 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.4 Cg_endo -74.98 78.84 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.2 m -176.05 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.66 -56.27 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -48.01 -47.89 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.6 73.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -46.73 67.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.83 -36.32 82.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' ALA . 72.2 t -62.81 -65.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -50.22 -43.03 42.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.82 -65.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -39.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.63 -68.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.33 -70.22 1.06 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -42.97 -57.03 3.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.93 -53.27 23.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -31.71 49.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.36 -30.02 47.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -53.86 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.96 60.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.0 p -57.63 161.11 3.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -179.29 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.37 -69.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.11 -151.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -175.58 109.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -50.93 136.94 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 26.3 t 68.27 -68.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -40.52 -45.87 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 56' ' ' SER . 3.9 p -42.27 -56.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' HG13 ' A' ' 55' ' ' VAL . 1.1 t -48.57 -45.27 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -41.42 73.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.09 -21.85 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.41 ' CG2' HG12 ' A' ' 35' ' ' VAL . 6.2 m -74.28 -52.91 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.461 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.85 69.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -64.9 -52.96 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD2' HD11 ' A' ' 66' ' ' ILE . 12.2 t80 -63.2 -45.17 92.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -54.23 -58.64 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.89 58.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -55.36 -31.51 61.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.914 HD11 ' CD2' ' A' ' 62' ' ' PHE . 18.6 mt -76.08 -29.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -54.79 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 57.03 1.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -116.1 139.38 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 163.16 13.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -78.12 119.46 21.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 125.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.88 -48.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.04 162.49 12.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -120.02 120.27 35.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER 68.75 -66.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -70.63 63.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' LYS . 1.2 ptt? -138.01 151.4 70.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' GLY . . . -70.4 -39.94 74.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -37.45 -49.05 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -56.55 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 0.776 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.91 -36.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.14 -31.66 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.49 -53.2 7.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -50.1 -44.02 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -63.87 -56.06 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -44.63 -39.9 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -50.33 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -62.19 1.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.2 pp -52.06 -48.74 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -54.01 -34.1 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -75.87 -29.91 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.62 -51.4 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.26 -42.05 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.8 -35.63 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -40.86 2.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -47.16 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.543 0.211 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.56 -55.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -112.48 176.61 4.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mt -115.76 -64.83 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.06 172.39 20.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 49.5 m-85 -89.7 -51.4 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.1 -58.02 1.28 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.38 -48.55 36.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 0.711 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.35 68.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -29.49 65.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.94 -56.17 10.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.97 -50.2 64.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.5 m -49.68 -60.85 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 1.7 t80 -50.91 -43.09 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.39 -76.01 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -51.35 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mm -50.03 -51.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -58.27 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' TYR . . . -81.54 -21.39 62.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 36.52 61.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.31 -62.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 85.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.83 168.56 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.16 -109.27 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 26' ' ' VAL . 14.3 p -138.58 69.98 45.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.07 -176.16 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 28.7 t -59.76 -47.76 84.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tp -41.74 -53.86 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 27' ' ' PRO . 17.9 mm -49.67 -48.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.6 -38.65 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.06 -29.6 68.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -72.68 -38.98 67.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.28 -58.1 4.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 31' ' ' ALA . 9.9 p -55.27 -51.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -52.46 -58.42 11.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.3 m -50.63 -45.74 57.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -60.26 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.13 -69.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.27 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.9 t80 -38.67 -53.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.22 -60.72 4.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 50' ' ' LYS . . . -56.16 -29.56 60.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -67.95 -34.23 76.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.7 mtm180 -45.93 -49.13 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER 164.41 -46.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.2 p -60.09 167.93 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.23 108.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 65.01 1.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -178.41 129.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.51 78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.65 88.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 90' ' ' MET . 10.6 t 72.58 -59.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -65.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -41.64 -53.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.14 -48.17 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.93 -36.39 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.97 -25.61 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.7 m -70.74 -49.79 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -71.18 -36.03 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.68 -49.66 76.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.8 -42.88 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -59.89 4.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.0 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -55.4 -30.49 60.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 11.8 mm -78.13 -29.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -65.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.84 -94.16 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 70' ' ' ARG . 6.0 p -144.05 -53.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' N ' HG13 ' A' ' 69' ' ' VAL . 1.2 ptt85 -161.66 146.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -67.54 158.34 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -138.47 174.13 10.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -67.25 98.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.42 178.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.1 72.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -65.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 77' ' ' ILE . 26.8 mm -124.75 57.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 1.7 ttt 40.47 63.34 5.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.64 -54.9 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.36 -53.03 3.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 mt -48.38 -49.58 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 0.796 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.0 t -56.69 -38.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.24 -29.79 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.14 -47.9 34.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm? -59.75 -45.58 91.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -55.37 35.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -50.47 -40.41 50.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -51.18 70.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.71 ' HG2' HG13 ' A' ' 53' ' ' VAL . 18.3 mtt -54.42 -56.24 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.1 mt -51.04 -54.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.61 -29.88 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.75 -32.46 65.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.75 87.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.91 -36.06 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -46.35 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -56.15 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -54.4 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 tpp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -89.58 -59.61 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.6 171.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 5' ' ' GLY . 4.9 tp -105.4 -51.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.446 ' N ' HG23 ' A' ' 4' ' ' ILE . . . 38.65 64.32 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.24 -51.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.02 -56.34 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -47.37 -50.18 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 13' ' ' THR . . . -56.94 -37.1 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.14 -29.86 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -45.82 48.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.22 -55.34 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 14' ' ' PHE . 4.1 t -56.4 -50.33 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' N ' HG23 ' A' ' 13' ' ' THR . 0.4 OUTLIER -45.78 -63.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -56.99 -61.56 7.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -38.68 -64.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 110.039 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.74 -45.45 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.3 t80 -51.06 -44.01 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.09 -19.46 69.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.2 t80 50.73 102.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -142.89 65.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 72.48 95.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -60.97 1.82 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 -97.59 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.3 -131.79 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 26' ' ' VAL . 27.6 m -128.2 91.81 43.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p 179.63 -64.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.0 -50.65 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.33 -50.19 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.69 -35.06 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.66 -29.71 67.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -44.57 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.45 -44.27 91.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.69 -58.54 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.86 -42.49 38.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -63.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -40.61 -43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.04 -75.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.34 -71.64 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.52 -50.13 19.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.17 -39.84 57.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -73.76 -29.66 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -49.58 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' N ' ' A' ' 47' ' ' SER . 16.6 m -80.05 -51.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 39.32 79.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.0 -48.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -81.6 -55.78 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -173.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.22 107.03 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -163.36 175.28 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.58 -23.19 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -43.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 56' ' ' SER . 33.3 m -43.25 -54.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 55' ' ' VAL . 7.9 t -49.42 -45.63 46.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -39.15 75.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -76.22 -19.65 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.2 m -77.47 -40.82 41.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.27 -39.38 48.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.48 -48.49 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -67.44 -49.01 65.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tt -51.37 -57.77 8.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.37 -50.31 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -55.25 -30.14 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mm -78.55 -29.97 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.1 mmt -68.27 -35.53 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.99 -82.3 0.3 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.41 133.8 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -88.64 90.99 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.8 -53.39 4.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.579 ' HE3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER 58.4 68.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -59.16 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.13 130.32 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 60.09 5.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -87.64 174.15 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 78' ' ' MET . 3.9 mp -109.86 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.9 mtt 164.77 -52.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.1 Cg_endo -75.01 -58.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.87 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.56 -51.26 3.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -50.15 40.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG11 ' HE3' ' A' ' 72' ' ' LYS . 87.1 t -57.72 -35.77 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.69 -29.83 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.52 -54.57 8.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.67 -41.29 77.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HD12 ' A' ' 91' ' ' ILE . 7.7 t -59.88 -57.78 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.86 -44.08 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 tpp -57.21 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -56.2 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 87' ' ' SER . 3.1 mt -48.63 -62.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.76 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -66.11 -43.33 87.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.42 -32.93 28.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.5 t -86.02 -44.47 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -47.43 -41.5 20.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -40.53 -56.43 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 96' ' ' LEU . 13.0 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.509 0.195 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.68 85.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.83 53.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.739 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -118.45 -39.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' N ' HG12 ' A' ' 4' ' ' ILE . . . -152.72 88.62 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -88.8 -53.45 4.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.15 -56.78 1.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -48.29 -49.28 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.62 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.06 -29.57 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.93 -63.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.58 -48.27 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -51.64 -66.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -39.11 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.84 -72.86 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -41.2 -50.61 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -48.27 -51.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.57 -32.86 70.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.17 -19.94 76.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.9 t80 178.93 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.45 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 -61.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 179.99 119.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.89 136.2 4.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.96 -113.47 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 26' ' ' VAL . 3.7 p -150.2 65.17 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.99 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 45.8 p -70.95 -52.41 20.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -41.51 -54.62 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -48.38 -49.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -53.23 -40.64 64.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.69 72.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.175 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.09 -47.0 48.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.11 -56.06 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 31' ' ' ALA . 11.1 p -56.91 -54.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -51.97 -33.03 35.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.9 t -66.68 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.2 tp -40.28 -44.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.54 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -52.81 -68.62 1.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -36.3 -56.02 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.741 . . . . 0.0 110.985 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.94 -53.95 20.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.59 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -78.52 -29.93 46.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -70.56 -32.67 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t 67.75 71.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -132.6 22.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.05 -175.17 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.33 -11.96 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' HG23 ' A' ' 55' ' ' VAL . 1.3 mmpp? -59.17 119.61 7.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.97 65.74 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -174.05 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 53' ' ' VAL . 58.6 t 44.42 37.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -87.44 -50.77 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 59' ' ' THR . 50.1 t -39.78 -49.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -53.77 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.08 -33.64 65.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -32.22 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 55' ' ' VAL . 16.5 p -78.57 -36.1 44.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -68.2 -38.58 82.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -70.86 -55.62 8.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' THR . 7.3 tt -60.42 -56.37 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 67' ' ' MET . . . -47.09 -61.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.8 m -54.54 -29.18 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 64' ' ' ALA . 13.6 ptt? -90.08 -29.57 18.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 67' ' ' MET . . . -158.79 -120.55 0.59 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 69' ' ' VAL . 2.0 p 179.25 56.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 63.7 97.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -82.14 -74.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.24 74.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -164.14 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -124.47 -178.22 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.051 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 121.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.51 -62.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -179.17 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 1.5 mmm 163.75 -52.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -73.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.96 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.63 -52.59 3.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.0 mt -50.12 -48.75 53.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -36.04 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.38 -29.72 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.59 -50.64 14.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt -60.37 -41.45 93.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.17 -52.92 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.15 -46.49 89.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -56.55 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.2 mm -51.65 -53.38 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -29.97 59.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -31.89 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.89 -72.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.1 t -46.65 -42.72 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.19 -38.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 tt -45.65 -48.61 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -40.21 76.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.475 0.179 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.47 156.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.59 -66.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 5' ' ' GLY . 1.4 tp -174.94 -50.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 4' ' ' ILE . . . -167.2 158.04 30.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -87.3 -54.92 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.776 . . . . 0.0 111.0 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.26 -55.84 1.52 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -48.38 -49.84 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.74 69.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.77 66.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -59.01 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -54.01 -46.72 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' PHE . 27.5 m -54.5 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.1 t80 -37.32 -43.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -77.35 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.0 m -39.62 -50.5 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' O ' ' A' ' 13' ' ' THR . 1.6 mp -48.75 -53.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.84 -30.52 67.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.05 -24.33 69.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -68.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 179.55 174.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.77 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.34 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.63 96.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.36 -72.15 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.91 106.25 36.86 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -178.15 -62.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' ILE . 3.9 pp -42.1 -48.18 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 29' ' ' LEU . 32.6 mm -49.55 -52.02 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.71 70.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -37.18 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.03 -42.04 81.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.6 p -69.87 -47.54 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -58.05 -50.19 68.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.74 -65.24 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.68 -41.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -57.02 -67.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -71.07 0.82 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -61.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -48.62 -50.28 25.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.69 50.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -32.99 53.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 42' ' ' GLY . 8.3 p -98.47 44.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.66 -179.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -132.99 55.49 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 p30 168.28 -179.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt 72.97 132.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -127.51 174.38 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -65.23 81.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.61 -72.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -42.17 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 56' ' ' SER . 19.1 m -42.51 -52.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 55' ' ' VAL . 3.6 m -48.86 -48.09 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -37.43 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 32.5 t80 -73.73 -22.32 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -76.46 -45.07 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.56 -48.33 64.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.84 -52.42 65.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 46.2 t80 -63.66 -37.63 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 66' ' ' ILE . 10.1 tp -58.26 -71.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -45.83 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -50.57 -47.02 58.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.5 tt -67.14 -29.36 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.27 84.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.4 -75.28 0.27 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -103.1 143.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -47.83 -57.17 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 71' ' ' PHE . 8.3 p90 -143.18 104.41 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.78 161.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.61 91.13 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' CG ' ' A' ' 78' ' ' MET . 0.2 OUTLIER -128.68 -78.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.01 80.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' ILE . 3.1 mtpm? 68.32 59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 76' ' ' LYS . 5.4 mp 67.78 96.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.538 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -45.48 -49.07 35.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.02 55.17 3.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.86 -54.88 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -48.89 -50.2 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.04 -36.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.97 -29.76 69.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.05 -58.76 5.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.69 -42.07 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -60.68 -53.51 56.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.47 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -53.52 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -55.77 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.8 mm -50.73 -55.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -29.89 53.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -35.04 71.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -48.03 83.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.4 -46.67 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.69 -29.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 tt -41.09 -42.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -44.87 66.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtp . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.474 0.178 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -178.49 155.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.3 130.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -132.8 96.19 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.04 106.44 2.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -50.16 -53.33 28.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -36.93 -58.83 1.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 12' ' ' VAL . 25.8 t80 -48.04 -48.37 33.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -55.63 -38.16 69.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.53 66.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -73.11 -64.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 8' ' ' TYR . 7.0 p -52.7 -33.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 2.4 m -64.67 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.43 -65.75 3.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 47.7 t -38.85 -63.84 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 mm -46.11 -46.17 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 2.5 t80 -51.46 -44.29 62.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.84 -19.63 72.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 112.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -142.91 63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 63.62 113.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.59 165.58 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.06 153.5 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.54 31.39 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.4 p -164.75 83.76 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.44 3.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -168.48 -72.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.91 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' ALA . 1.8 tt -50.37 -52.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.887 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -57.36 -32.17 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.89 -29.58 66.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -76.43 -38.37 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -54.35 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 31' ' ' ALA . 30.5 m -69.33 -35.19 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.51 -29.87 71.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 3.9 m -79.35 -41.18 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -60.09 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -62.43 -45.47 92.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.09 -79.67 0.12 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 11.7 t80 -42.83 -54.78 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -52.83 -51.5 44.72 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.03 -31.91 43.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -83.0 -28.76 29.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -59.24 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 42' ' ' GLY . 14.2 m -51.33 -32.91 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.1 p -164.53 179.73 6.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 53.72 90.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 67.3 m-20 -49.21 -46.85 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 152.38 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -138.85 -177.43 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.52 68.38 8.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' VAL . 65.8 t 49.07 52.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 56' ' ' SER . 16.4 m -40.65 -52.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -47.89 -51.0 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -37.81 68.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.83 -29.08 67.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 m -74.34 -45.09 49.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -64.16 -39.78 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.96 -49.54 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.914 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 t80 -59.25 -42.35 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -59.01 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.63 -55.42 13.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.74 -30.0 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.419 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.914 HD12 ' O ' ' A' ' 62' ' ' PHE . 1.1 mt -72.86 -32.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 tpt -85.55 -68.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' CG2' ' A' ' 69' ' ' VAL . . . 99.97 50.82 1.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 78' ' ' MET . 0.2 OUTLIER 40.3 74.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -139.66 -58.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 79' ' ' PRO . 5.7 t80 55.41 178.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.13 -53.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.04 134.25 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -86.32 177.2 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp 64.28 119.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.453 ' HG2' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -50.82 174.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 71' ' ' PHE . 18.3 Cg_endo -75.0 115.92 4.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.03 4.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.68 -50.06 4.01 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.91 -50.46 46.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.45 -34.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -68.84 -29.76 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.27 -50.64 8.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 60' ' ' ALA . 2.0 tm? -57.56 -42.96 84.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -56.79 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tp -44.03 -44.78 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -56.34 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 ttm -50.46 -53.28 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mm -50.89 -55.83 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -53.89 -29.92 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.2 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.27 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.4 m -49.78 -39.18 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.04 -51.34 3.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.1 tp -40.53 -50.44 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -60.25 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.5 0.191 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' HD22 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -164.85 166.63 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 2' ' ' ASP . 4.5 mm? -118.42 156.0 29.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -158.8 149.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.69 -178.07 9.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.9 t80 -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.17 -55.59 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.555 1.16 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.461 ' CB ' HG12 ' A' ' 4' ' ' ILE . 1.2 m-85 -48.64 -49.97 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' THR . . . -57.1 -35.22 69.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.6 65.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -67.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -50.38 -44.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 12.1 m -53.78 -69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -45.17 -38.81 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.57 -80.93 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -40.13 -50.07 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mm -48.31 -53.1 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.91 -31.5 68.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.01 -23.05 72.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.34 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -173.19 -161.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -110.29 -48.41 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 163.62 108.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.7 -142.81 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.34 59.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 27' ' ' PRO . 70.6 t 63.87 142.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.88 -61.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.9 -50.38 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -48.84 -51.17 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.62 -36.82 67.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.79 -29.78 72.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -52.97 13.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.97 -46.56 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 59' ' ' THR . 17.1 t -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -44.45 -42.21 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -62.12 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.14 -40.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.69 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.67 -67.05 2.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -37.27 -58.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.5 -51.01 45.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -30.56 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.653 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-85 -84.06 -29.43 26.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -32.35 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TYR . 40.4 t 66.69 52.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 p -108.8 -43.27 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -86.09 -26.52 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 51.48 78.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -104.26 -165.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -68.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.24 165.05 11.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -80.96 68.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -77.4 -36.19 53.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -42.03 -56.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -47.4 -46.46 26.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.17 -42.55 73.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.28 -23.09 61.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -73.59 -51.68 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -62.94 -49.23 75.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -55.61 -51.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.99 -36.99 85.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -58.12 -72.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.65 -44.31 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -48.91 -48.16 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.957 HG22 ' O ' ' A' ' 63' ' ' LEU . 1.3 tt -70.9 -28.44 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.5 ttt -61.7 -47.21 86.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.16 -96.7 0.17 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -94.65 161.74 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.8 11.54 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -135.93 68.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.34 122.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.851 ' HG2' ' HB2' ' A' ' 80' ' ' ALA . 7.2 mtp180 -123.4 83.66 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER 171.67 78.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 78' ' ' MET . 5.7 mmtt 168.96 170.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.57 36.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 77' ' ' ILE . 3.8 mm 71.75 43.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 59.54 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.61 16.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.851 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . . . -50.33 -52.87 33.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.55 -50.48 3.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -49.94 -50.33 46.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.17 -34.15 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -69.26 -29.78 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.5 -46.04 34.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -62.48 -44.54 96.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.08 -46.24 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -50.13 68.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.02 -54.99 35.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.59 -58.76 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -29.85 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.31 -38.67 81.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -51.95 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.26 -30.53 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -51.84 -37.86 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.0 mt -41.45 -45.85 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -52.93 33.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.494 0.187 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.76 118.67 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 96.44 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 pt -139.3 166.86 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.59 104.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.8 m-85 -68.13 -59.07 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.07 -54.92 1.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -47.63 -50.92 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -35.69 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.44 -29.83 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.41 -53.25 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.3 t -53.26 -51.76 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -52.69 -57.66 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -59.06 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -59.0 -66.04 3.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLY . 7.6 t -38.28 -64.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mp -45.4 -46.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.8 t80 -50.78 -45.42 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.27 -19.61 74.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.55 107.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -171.9 61.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -179.65 3.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.36 -56.89 0.51 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.26 88.71 1.23 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.65 94.62 33.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.05 150.98 38.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER 84.91 -65.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 29' ' ' LEU . 6.5 mp -42.1 -52.3 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pp -49.38 -49.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -54.47 -38.08 65.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.61 70.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -63.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.741 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.61 -46.6 67.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 31' ' ' ALA . 53.9 t -59.69 -70.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -39.99 -48.53 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -54.96 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 6.1 tp -40.49 -37.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -58.96 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.99 -66.64 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -43.26 -57.4 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.36 -52.25 28.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 50' ' ' LYS . . . -54.2 -31.55 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.7 -29.89 51.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -66.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.07 -51.52 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t 53.24 102.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 178.71 55.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 167.19 -65.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 4.9 tptp -168.79 -168.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 173.28 61.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LYS . 7.1 t0 176.87 103.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t 70.52 -60.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' ASP . 5.8 mttm -40.26 -58.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 56' ' ' SER . 7.4 m -41.23 -59.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.596 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -47.63 -45.62 27.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -43.27 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.8 -24.58 61.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' CG1' ' A' ' 35' ' ' VAL . 3.1 m -72.92 -50.04 25.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -66.24 -39.26 89.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' THR . 24.5 t80 -59.67 -56.94 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 m-85 -59.87 -41.98 92.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 59' ' ' THR . 2.6 mm? -57.41 -76.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.21 -43.09 9.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.4 m -48.12 -49.29 32.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.9 pt -70.8 -28.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -70.77 -55.91 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.57 -97.35 0.16 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.6 t -116.85 127.89 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -40.02 -63.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -79.71 157.95 27.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 -67.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.2 139.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.77 167.81 24.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -124.21 55.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.87 -70.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.1 tt -95.6 -38.17 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.64 84.54 0.18 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 54.79 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.905 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -70.31 -39.68 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.12 -44.63 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.91 -60.71 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 80' ' ' ALA . 32.6 m -60.12 -29.54 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -32.76 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.75 -52.41 5.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ALA . 55.4 tp -49.55 -46.99 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -64.84 -59.26 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.26 -43.21 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.0 mtt -63.13 -56.39 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.0 ttm -50.55 -53.26 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -51.31 -54.68 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.5 -29.91 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.65 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -39.7 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.42 -52.23 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -48.29 -33.44 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -43.98 -55.38 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -52.19 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.484 0.183 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.52 118.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.66 76.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' PHE . 3.7 tp -171.84 143.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.31 96.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' ILE . 1.6 m-85 -54.51 -56.42 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -37.08 -56.7 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -47.83 -49.7 28.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 13' ' ' THR . . . -56.79 -36.81 70.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -69.0 -29.88 68.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -41.72 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -51.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 20.3 p -54.39 -49.81 69.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -56.33 16.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 -68.14 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.14 -58.05 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 13' ' ' THR . 67.9 mt -48.37 -47.48 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.82 -38.57 67.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.78 -19.69 69.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.58 104.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -165.61 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.25 149.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.27 -58.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.73 -114.06 1.04 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 111.88 96.81 2.33 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 162.93 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -175.52 2.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.5 p -123.01 25.22 8.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.93 -52.03 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.662 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -48.27 -50.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -54.2 -39.39 66.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.91 73.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -56.66 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.68 -41.05 66.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' CG2' ' A' ' 59' ' ' THR . 3.1 t -65.3 -67.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -42.23 -45.61 5.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.16 -66.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -37.63 -43.43 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.06 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.27 -72.21 0.71 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -39.72 -55.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -49.98 -54.72 17.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.61 -30.24 41.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -79.15 -31.13 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -69.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLY . 38.4 t -91.47 59.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.2 141.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.48 -46.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -173.61 104.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.74 117.44 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -99.37 -62.11 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.51 -62.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 53' ' ' VAL . 2.6 p -175.74 39.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -35.63 60.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 56' ' ' SER . 28.8 m -41.83 -55.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 55' ' ' VAL . 23.1 m -46.99 -47.77 21.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -42.22 73.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -71.77 -23.02 61.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' CG1' ' A' ' 35' ' ' VAL . 2.7 m -75.07 -47.57 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -65.59 -45.64 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.77 -49.11 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -61.54 -54.13 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.81 -57.63 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.56 -51.51 47.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.6 m -54.49 -32.53 58.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 66' ' ' ILE . 26.1 mm -77.39 -29.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -82.98 -70.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.06 -98.19 1.78 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.26 70.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.37 44.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -167.59 42.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 176.46 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -93.41 -28.95 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.09 126.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.88 159.8 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.48 -57.83 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.9 mt -95.66 -58.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.65 153.4 70.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.533 ' O ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 148.12 34.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.04 -52.99 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.567 HD21 ' HB1' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -49.66 -49.5 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.336 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 79' ' ' PRO . 76.6 t -56.7 -36.26 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -67.57 -31.33 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.99 -62.54 3.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.32 -40.7 49.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -60.92 -64.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -40.15 -41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 mtt -63.43 -51.38 65.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -54.96 37.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.67 -58.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.61 -29.86 39.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -37.97 79.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -62.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.93 -43.77 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.09 -34.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -51.34 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -46.76 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.523 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.36 119.14 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -129.25 -65.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt 43.08 49.92 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.65 81.58 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -88.1 -54.86 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.973 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.17 -56.32 1.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -47.9 -49.83 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.54 70.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.6 67.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -46.18 56.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.81 -60.65 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -51.72 -50.76 59.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.67 -63.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -60.13 -61.83 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.39 -66.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -44.12 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 1.5 t80 -50.62 -43.22 56.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.76 -19.59 65.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.31 132.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.4 -176.58 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -73.76 -40.94 63.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 6.4 mtp180 159.75 -176.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.01 79.55 0.59 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 26' ' ' VAL . . . 179.33 -63.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 25' ' ' GLY . 5.8 m -151.62 93.53 3.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.65 10.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 m -99.19 -64.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.08 -50.25 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 31' ' ' ALA . 2.7 pp -49.12 -50.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' N ' HD12 ' A' ' 30' ' ' ILE . . . -55.74 -36.59 67.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.14 -29.67 72.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.36 -40.63 50.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.73 -45.87 87.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.3 p -66.3 -49.67 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.49 -36.75 64.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.157 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -67.91 -61.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.4 tp -39.76 -50.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -55.17 -64.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.61 -78.83 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -39.44 -59.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -50.51 -51.17 33.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -53.35 -32.46 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -78.77 -29.82 45.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -76.19 -46.7 27.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' GLY . 14.0 p -80.84 -31.5 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.33 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.39 -43.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.93 103.79 11.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? 60.62 -176.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -57.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -156.98 176.54 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t 65.18 -81.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -48.35 -49.71 33.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 56.1 t -41.51 -58.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.71 -45.77 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -54.41 -42.73 70.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -72.24 -23.6 61.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -73.87 -61.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' HB2' HD23 ' A' ' 86' ' ' LEU . . . -59.56 -40.46 87.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 79.6 t80 -60.2 -51.71 68.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.34 -34.85 79.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -61.52 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.29 -46.54 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -51.43 -41.79 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.76 -29.79 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -60.9 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.94 -122.79 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.444 1.09 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.73 -89.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -167.42 85.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 72' ' ' LYS . 5.5 p90 -173.88 -159.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 20.5 mttt -103.05 132.38 49.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' SER . 1.1 mpt_? -107.22 -177.92 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 73' ' ' ARG . 0.4 OUTLIER 162.26 67.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.958 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -171.81 85.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.69 157.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 tp 40.46 56.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.43 115.76 9.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.78 21.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.89 -57.28 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -39.85 -52.46 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.127 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.5 tp -47.44 -50.88 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -56.77 -38.81 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -64.04 -30.7 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.09 -52.4 14.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 60' ' ' ALA . 1.9 tm? -54.28 -45.06 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.54 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -46.26 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -60.36 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.92 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mm -52.23 -51.35 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.26 -30.22 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -30.04 58.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -33.64 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.97 -49.7 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -43.18 -39.97 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.06 -51.21 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -46.41 63.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.519 0.2 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.49 159.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -145.39 64.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 mm -134.75 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.69 118.83 3.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 7' ' ' GLY . 54.1 p90 -72.23 -44.36 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' N ' ' CD1' ' A' ' 6' ' ' PHE . . . -37.11 -57.13 1.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -48.79 -48.95 40.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.42 68.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.68 65.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -59.34 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -54.78 -52.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -53.3 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -40.94 -37.72 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -65.33 -86.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 36.1 t -38.9 -49.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 0.802 . . . . 0.0 110.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 17' ' ' ILE . 24.0 mm -48.49 -54.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.26 -30.08 66.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . -77.39 -24.38 65.81 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER 36.36 33.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 111.012 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -174.93 -173.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.44 51.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.58 -177.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.38 58.91 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.98 -54.93 3.49 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 155.58 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.9 p -136.64 15.33 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.76 -53.02 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -47.94 -50.03 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' VAL . . . -53.94 -40.43 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 35' ' ' VAL . . . -66.91 -30.31 75.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -59.3 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -51.19 -53.3 36.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' ALA . 33.6 m -60.42 -35.89 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.18 -74.07 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 27.3 p -49.1 -29.18 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 34' ' ' PHE . 1.2 mt -58.9 -61.38 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -62.21 -51.5 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.33 -80.52 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 3.5 t80 -47.31 -55.58 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.08 -52.78 16.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -53.92 -37.0 63.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -75.47 -27.96 59.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.23 -53.4 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.82 -23.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -169.05 177.77 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.32 164.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.81 -51.27 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 30.1 mttt -139.93 155.34 47.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 9.9 ttt180 79.13 135.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 164.36 99.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 t -119.54 -52.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -41.83 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 56' ' ' SER . 14.2 p -41.3 -53.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 55' ' ' VAL . 3.0 m -47.49 -49.73 25.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.24 71.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -26.58 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.3 m -74.06 -48.84 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.93 98.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.62 -53.29 58.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.39 -46.11 87.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -50.07 -54.51 19.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 p -55.8 -29.9 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.432 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.21 -30.5 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ttt -86.96 -61.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 118.34 75.83 0.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG21 ' HG2' ' A' ' 79' ' ' PRO . 1.7 p -161.41 115.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -35.69 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 177.25 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.72 175.05 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER 168.41 -54.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -163.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 -145.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 41.73 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.4 mm 66.9 -91.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.227 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.5 165.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.559 ' HG2' HG21 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 -19.36 17.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.83 -49.3 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -40.33 -53.99 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.37 -49.57 24.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.631 ' HA ' HD12 ' A' ' 86' ' ' LEU . 99.4 t -55.88 -40.66 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -50.18 12.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.2 mt -55.88 -39.46 71.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.11 19.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -41.43 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -44.19 89.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.3 mtt -56.49 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 tp -50.24 -47.33 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.64 -39.2 61.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -72.22 -29.82 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -44.89 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' LEU . 41.5 t -89.0 -45.05 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -40.34 -29.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -40.15 -35.37 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -54.09 50.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.486 0.184 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.73 157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 63.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 tt -136.02 152.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.41 105.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 83.0 t80 -70.98 -51.54 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.13 -58.27 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -47.75 -48.59 29.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -38.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.22 -29.59 67.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.08 -52.63 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.6 -59.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 41.7 m -42.16 -55.64 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -49.53 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -63.28 -73.6 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -38.69 -52.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' THR . 6.8 mm -49.64 -52.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -31.59 62.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . -80.35 -24.84 58.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 49.24 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.005 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.1 102.27 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.62 82.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.18 -48.99 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.86 -118.46 0.76 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . . . 92.24 91.26 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER 163.49 -52.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.95 -170.75 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 -37.19 5.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.74 -51.53 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.7 mt -48.42 -50.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -55.26 -38.13 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.61 -29.89 74.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -72.08 -45.86 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.22 -51.62 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 31' ' ' ALA . 12.1 p -61.01 -41.34 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.02 -47.57 72.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.5 m -61.37 -61.68 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . 7.4 tt -38.42 -45.55 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.589 ' HB1' ' CG2' ' A' ' 55' ' ' VAL . . . -58.31 -66.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.57 -75.46 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -38.79 -55.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -51.58 -54.1 26.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.46 -31.15 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -82.94 -33.2 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -74.88 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . 74.6 t -68.9 91.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.9 m 77.92 173.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.81 156.68 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ARG . 33.9 t70 -175.93 59.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 67.14 -75.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.7 mtt180 -177.66 -69.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 16.0 t70 175.89 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -141.8 -67.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -43.51 64.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.589 ' CG2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -42.74 -51.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -49.37 -47.82 47.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.14 -38.16 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -75.13 -21.65 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -76.44 -43.46 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -76.5 -32.82 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 9.6 t80 -66.7 -53.26 35.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.07 -50.37 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.483 HD23 HD21 ' A' ' 82' ' ' LEU . 1.3 tp -55.31 -57.29 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.36 -51.26 56.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.8 m -55.5 -30.67 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -76.72 -30.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -58.33 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.43 146.43 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 69' ' ' VAL . 2.5 p -144.72 56.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -54.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -91.59 88.69 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 11.4 tmtt? -98.41 -77.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 3.6 ptt180 -64.07 121.9 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.33 172.93 3.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 44.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.53 158.91 43.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 78' ' ' MET . 1.1 pt -105.23 123.22 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER 165.2 -52.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.03 -55.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.19 81.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.53 -51.42 3.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -48.63 -50.3 33.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.57 -36.76 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.48 -29.83 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.03 -49.49 16.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.95 -46.86 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -56.6 19.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -48.23 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.0 -45.79 92.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -60.94 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.34 -47.82 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -32.39 60.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -37.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -42.79 -47.68 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.22 -36.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.66 -51.32 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.478 0.18 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.22 118.66 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -172.1 117.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -112.24 156.31 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.09 129.82 1.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.5 m-85 -72.23 -54.58 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.18 -56.84 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.07 -49.37 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 12' ' ' VAL . . . -56.66 -36.85 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -29.59 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.52 -62.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 9' ' ' ALA . 10.8 p -48.93 -43.44 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -60.76 -65.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.466 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.1 t80 -41.52 -38.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -67.44 -64.91 2.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.09 -61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 18' ' ' PHE . 2.2 pp -49.7 -45.41 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.436 ' N ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -52.07 -40.01 60.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.39 -21.94 63.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -76.11 66.03 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -51.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.56 -62.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.23 107.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 103.12 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.45 -137.44 4.85 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 27' ' ' PRO . 7.7 p -54.67 141.1 56.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 86.71 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.03 -62.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -51.4 4.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.36 -50.18 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.31 66.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.71 -29.84 70.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -46.28 63.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 59' ' ' THR . 14.4 t -65.06 -74.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -38.11 -35.84 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' LEU . 11.0 m -63.1 -68.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -40.4 -36.55 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -60.38 -67.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -68.17 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -41.92 -56.35 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.38 -54.18 17.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB1' ' OD1' ' A' ' 52' ' ' ASP . . . -53.84 -31.77 50.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -77.26 -30.57 54.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.02 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t 48.76 78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -140.13 -60.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -89.99 -58.01 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -119.45 155.69 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -140.55 60.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.46 82.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.648 ' OD1' ' HB1' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -52.23 163.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 52' ' ' ASP . 4.2 t 74.35 -70.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -45.36 -48.15 13.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 56' ' ' SER . 11.4 m -41.15 -57.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -47.52 -46.82 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -42.71 68.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.36 -26.04 63.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.77 HG21 HG13 ' A' ' 35' ' ' VAL . 28.4 m -74.42 -40.94 61.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -70.6 -39.58 73.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.77 -53.47 53.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.58 -65.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.833 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -41.74 -55.44 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -51.9 -49.9 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -55.12 -30.12 59.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 63' ' ' LEU . 10.2 mt -79.3 -29.9 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -60.04 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.49 -132.88 2.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 70' ' ' ARG . 27.7 m -135.81 -50.14 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 69' ' ' VAL . 1.5 tpt180 -103.84 39.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 46.93 39.54 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? 62.55 -173.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.86 124.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.28 -175.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -168.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.24 179.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.0 28.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.499 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -74.26 -51.23 4.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.06 -47.92 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.531 1.806 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.69 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.31 -52.17 3.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD12 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -48.25 -50.41 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.84 -37.92 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -65.05 -30.97 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.32 -55.82 8.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.51 -45.16 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -57.61 -56.07 26.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -46.87 -42.26 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -48.62 72.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.0 ttp -52.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.64 -46.9 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.0 tp -52.28 -40.39 61.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -71.59 -29.78 65.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tp -46.86 -47.18 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 -41.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' LEU . 8.9 tp -45.16 -31.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -38.7 9.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -37.97 79.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LEU . 2.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.489 0.185 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 54.17 91.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.93 93.48 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 4' ' ' ILE . 1.8 tt -157.03 101.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.03 66.01 3.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.5 t80 -64.09 -57.26 10.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.766 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.29 -56.14 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.31 -49.69 33.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.9 69.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -70.27 -29.57 66.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -48.91 55.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.04 -49.29 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 17' ' ' ILE . 2.5 m -53.67 -57.33 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.42 -58.29 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.95 -67.31 2.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.17 -58.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.989 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 13' ' ' THR . 1.4 mp -48.04 -47.15 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -54.64 -39.37 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.16 -19.62 71.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.3 t80 39.07 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 97.79 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 67.57 103.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -153.44 138.22 17.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.01 167.64 11.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' VAL . . . 172.79 -83.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 35.5 m -38.88 99.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.01 70.16 5.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 m -175.89 -67.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.14 -51.43 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -50.0 -49.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.05 -36.63 65.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.08 -29.6 68.67 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -77.96 -34.74 50.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.724 . . . . 0.0 109.256 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.3 -45.89 68.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 36' ' ' GLY . 12.9 p -68.83 -47.13 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -55.47 -50.13 61.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.96 -58.12 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.48 -46.26 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.74 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.7 m-85 -42.22 -53.21 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -47.67 -61.95 4.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.63 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -53.02 -27.85 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -69.98 -38.24 76.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.09 -36.24 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 42' ' ' GLY . 18.9 m -119.38 -146.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -174.99 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.0 -84.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' SER . 7.9 t70 -169.1 76.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.94 164.17 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -177.67 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.63 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 3.3 t0 -128.66 50.39 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' H ' HG22 ' A' ' 55' ' ' VAL . 95.4 t -153.62 -67.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -34.16 73.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.5 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -51.89 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -34.01 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.93 -29.04 63.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -72.67 -51.65 18.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 59' ' ' THR . . . -60.37 -47.69 84.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CE2' ' NH1' ' A' ' 70' ' ' ARG . 4.4 t80 -56.14 -52.11 65.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.784 ' CE2' HD11 ' A' ' 66' ' ' ILE . 9.2 t80 -63.75 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -67.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.17 -49.69 41.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 m -53.04 -37.28 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.784 HD11 ' CE2' ' A' ' 62' ' ' PHE . 51.4 mt -74.0 -29.91 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.2 ttm -77.47 -66.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.22 -111.02 1.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -135.66 170.42 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.573 ' NH1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tpm_? -57.98 -57.37 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.7 m-85 -37.93 137.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.99 130.59 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.07 100.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 t -177.95 175.01 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -120.96 136.61 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 68.74 -67.17 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 77' ' ' ILE . 80.8 mt -79.33 75.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.8 OUTLIER -169.32 140.28 1.88 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.062 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 54.27 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.52 -54.3 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -38.6 -50.7 2.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -54.56 6.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.28 -39.11 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -62.97 -29.96 71.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.21 -56.82 6.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 60' ' ' ALA . 4.6 tp -49.67 -46.45 49.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.63 -39.52 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -62.8 -51.81 65.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.52 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.56 -56.21 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -29.9 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -35.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.91 -70.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 55.4 t -52.44 -47.77 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -40.57 -35.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.99 -48.93 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -57.37 -48.8 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.492 0.187 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -127.91 144.24 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.06 125.83 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -131.61 40.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.7 144.27 10.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 30.2 t80 -89.73 -54.18 4.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -36.89 -57.69 1.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -50.01 17.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.19 -39.27 72.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.03 -30.39 70.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.78 -55.7 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.4 -54.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' PHE . 3.6 m -53.64 -59.9 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -37.56 -53.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 18' ' ' PHE . . . -64.94 -59.82 7.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -39.56 -61.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -53.75 -42.48 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -51.55 -36.71 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.04 -19.34 47.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 33.9 t80 47.71 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -107.41 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -162.87 124.78 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -170.75 147.99 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.9 -129.6 4.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.12 60.25 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HD2' ' A' ' 27' ' ' PRO . 76.5 t 63.09 142.94 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.686 ' HD2' HG13 ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.07 64.3 6.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -178.72 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -51.39 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 31' ' ' ALA . 2.4 tp -49.99 -49.81 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -55.04 -36.52 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.02 -29.64 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.92 -40.0 63.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.75 -50.66 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.99 -52.41 31.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 t -57.52 -57.66 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.4 -47.63 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.86 -58.68 7.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.67 -76.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -37.26 -59.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.54 -58.0 7.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -53.1 -30.12 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 1.4 t80 -72.03 -36.0 69.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' C ' HG12 ' A' ' 46' ' ' VAL . 7.9 mtp85 -43.98 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' C ' ' A' ' 45' ' ' ARG . 1.3 p 174.95 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -67.61 74.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER 165.39 116.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.75 -37.71 85.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -88.55 157.86 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.56 -32.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.248 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -53.07 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LYS . 12.6 p -175.44 -38.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -36.55 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.572 HG23 ' H ' ' A' ' 56' ' ' SER . 6.6 m -41.76 -58.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.572 ' H ' HG23 ' A' ' 55' ' ' VAL . 5.2 t -48.31 -45.21 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.59 -42.04 70.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.24 -23.31 60.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -74.49 -46.68 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.75 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -63.51 -48.41 77.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.25 -46.33 87.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -57.57 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.25 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 mm -76.35 -29.95 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.37 -61.27 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PHE . 99.1 t -129.46 139.86 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LYS . 1.3 mtp-105 -63.22 78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER 65.21 -72.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -173.28 48.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.02 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -178.64 179.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.784 ' HG2' ' HB2' ' A' ' 80' ' ' ALA . 37.5 mttt -132.7 68.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 46.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' MET . 3.0 mp 47.44 86.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 3.5 mtt 164.54 -52.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.98 -69.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.784 ' HB2' ' HG2' ' A' ' 75' ' ' LYS . . . -43.47 -43.32 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -40.59 -52.07 3.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -49.7 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.11 -37.35 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.83 -29.86 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.77 34.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.4 -49.93 75.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -55.8 -52.02 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -47.14 63.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -49.75 69.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.11 -56.18 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.54 -53.41 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -55.95 -29.86 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -30.63 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.15 -42.14 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.8 t -80.22 -48.03 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -45.46 -35.04 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -45.49 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.83 -47.99 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.446 0.165 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.04 -55.77 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.95 135.16 54.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 tp -161.24 127.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.69 -177.77 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.48 -58.26 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -36.79 -56.37 1.32 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.23 -50.67 20.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.24 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.23 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.97 -54.98 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -52.81 -61.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -45.69 -49.3 14.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -49.97 -50.22 47.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 18' ' ' PHE . . . -68.44 -61.67 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.28 -59.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 14' ' ' PHE . 1.6 tp -55.01 -43.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -53.93 -33.21 56.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.3 -19.61 45.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 51.08 99.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 -176.52 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.92 -73.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.14 164.04 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.8 -43.43 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' ' CG2' ' A' ' 26' ' ' VAL . . . 75.84 -155.41 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' CG2' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER 40.48 87.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.801 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.82 42.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.81 -57.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.85 -48.65 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.09 -52.49 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.29 69.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.89 75.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -78.08 -34.96 49.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.06 -57.43 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.04 -50.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.4 24.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 40.5 t -57.23 -43.94 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -46.32 -64.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -59.54 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' TYR . . . -36.26 -78.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 32.0 t80 -36.87 -57.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.736 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.17 -54.62 8.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.92 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -72.97 -29.76 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.855 ' O ' HG13 ' A' ' 46' ' ' VAL . 6.0 tpt180 -80.43 -65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 175.65 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 71.49 -169.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 49' ' ' ASP . 9.7 m-80 71.62 81.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.7 m-20 77.39 -58.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 76.45 62.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 137.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -121.81 68.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -179.27 -40.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.92 -45.96 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' SER . 12.7 m -41.67 -51.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' VAL . 58.5 m -47.35 -50.42 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -38.34 74.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.66 -24.78 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -74.24 -49.8 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.69 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.757 ' O ' HG23 ' A' ' 65' ' ' THR . 13.4 t80 -61.37 -54.02 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -60.04 -32.18 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 69' ' ' VAL . . . -49.51 -54.28 18.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.8 p -56.14 -30.89 62.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 62' ' ' PHE . 15.4 mt -75.04 -30.01 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -66.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.59 41.58 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.547 HG13 ' HB1' ' A' ' 64' ' ' ALA . 2.2 p -101.14 108.75 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.45 83.53 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 39.96 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.52 127.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -55.82 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -86.89 161.27 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -45.28 38.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 176.59 168.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' MET . 4.3 mm 72.19 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.473 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 2.4 mtm 164.91 -52.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.94 -40.22 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.07 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.02 -39.88 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -38.59 -57.25 1.91 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -49.03 -48.5 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.03 -37.93 57.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.59 69.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.46 -60.09 4.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.9 tp -52.49 -44.82 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -54.39 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -50.87 9.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.01 -53.41 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.72 -56.76 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' A' ' 94' ' ' LEU . 18.8 mt -53.52 -49.18 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 95' ' ' VAL . 3.2 mp -54.35 -29.92 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -81.2 -29.79 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 91' ' ' ILE . 13.9 mt -60.42 -34.07 73.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 92' ' ' LEU . 33.9 m -81.38 -31.64 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -47.72 67.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.64 -61.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.65 -57.43 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.454 0.169 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 172.8 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.27 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.782 HD13 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER 176.63 -38.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.05 115.29 2.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 17.2 t80 -82.8 -57.04 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . . . -37.27 -55.48 1.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.72 -49.84 36.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.08 69.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 14' ' ' PHE . . . -70.81 -29.61 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -51.71 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.58 -57.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.9 m -47.3 -66.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 30.6 t80 -51.02 -55.22 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -47.36 -75.75 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -39.18 -50.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.947 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.433 ' HA ' ' CB ' ' A' ' 21' ' ' LYS . 69.7 mt -49.17 -54.08 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -29.9 64.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.32 62.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 177.88 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -39.35 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ARG . 6.0 ptt180 176.38 59.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.02 142.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -56.27 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.04 155.14 7.5 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.846 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -76.1 -51.68 2.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.753 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.95 112.21 3.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER 159.52 -179.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.36 -43.94 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.7 mm -47.33 -57.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 26' ' ' VAL . . . -58.22 -32.16 68.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -30.56 75.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -37.21 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.07 -53.27 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.49 -52.6 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.48 -47.87 35.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.6 t -65.07 -40.88 95.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tt -48.15 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . -57.25 -66.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ALA . . . -36.91 -71.91 0.17 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.416 ' O ' ' HB3' ' A' ' 44' ' ' TYR . 31.8 t80 -39.07 -53.3 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.08 -52.8 37.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.17 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -83.76 -28.83 27.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.734 ' C ' HG12 ' A' ' 46' ' ' VAL . 1.3 ttp180 -45.83 -53.92 8.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.734 HG12 ' C ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 166.0 76.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.11 -67.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -149.97 112.09 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.3 -56.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.01 -59.12 0.57 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -149.65 109.9 4.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.05 95.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -178.66 -39.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.13 -40.25 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.0 t -41.94 -58.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -44.47 43.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -41.28 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -74.86 -23.13 58.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -72.59 -55.19 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . . . -66.92 -39.59 87.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -57.88 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' ' 66' ' ' ILE . 49.5 t80 -61.87 -36.71 82.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.65 -61.69 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.99 -51.33 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -54.62 -29.84 53.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.476 HG13 ' CE2' ' A' ' 62' ' ' PHE . 10.5 mm -81.06 -29.81 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -62.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.23 140.92 7.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t 70.57 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.612 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 44.8 p90 -71.39 107.18 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -54.65 -43.67 72.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' LYS . 3.5 ttt180 38.3 62.76 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.03 100.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tttt 40.65 89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.03 110.15 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.687 HG23 ' H ' ' A' ' 78' ' ' MET . 2.4 tt -176.37 -64.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.687 ' H ' HG23 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -80.06 -52.69 1.0 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.06 -44.93 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.935 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -58.24 -46.51 85.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -35.47 -44.62 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.32 -60.17 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 ' O ' ' A' ' 80' ' ' ALA . 22.9 m -59.06 -28.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 81' ' ' GLY . . . -66.74 -34.06 77.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.02 -51.95 8.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -51.95 -48.55 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -60.61 -53.24 59.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -48.68 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 tpp -56.78 -57.02 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -49.3 -55.27 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.5 mt -48.22 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -29.71 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -65.37 -41.91 93.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.32 -38.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -36.39 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 tt -39.96 -44.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -47.15 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 stop_ save_