data_1p6u_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 1p6u _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.508 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.67 140.15 22.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.29 138.79 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.65 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -120.56 120.29 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.592 HD12 ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.96 89.8 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.683 HG21 ' C ' ' A' ' 37' ' ' ALA . 5.0 p -124.41 137.41 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -148.19 170.95 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.9 t0 -78.73 -11.03 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 136.29 19.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.89 -51.5 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.663 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 70.0 p -39.91 -53.03 2.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -63.76 -53.77 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.561 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.3 tmm_? -63.94 -71.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.16 -31.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.663 ' CG ' ' O ' ' A' ' 17' ' ' THR . 7.8 mt -65.87 -51.86 55.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.581 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -70.59 -46.31 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.581 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.08 -30.99 61.26 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 11.0 m-20 -75.08 -49.81 18.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.8 83.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.58 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -55.77 -48.79 74.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -59.71 -31.86 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.628 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 9.9 tt0 -73.93 -11.52 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.0 -48.5 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 119.82 61.57 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.695 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 3.3 p90 -76.72 171.51 14.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 3.9 tptt -85.06 -63.18 1.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.539 ' O ' HG21 ' A' ' 9' ' ' VAL . 1.8 tt0 -143.24 97.36 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.695 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.39 139.66 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.566 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -141.42 115.41 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.561 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.68 147.81 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.76 -176.97 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.59 -57.44 17.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.618 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.72 168.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.608 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.2 pt-20 -51.43 -52.78 43.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.618 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.54 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.54 -44.89 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.589 1.181 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.469 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -55.29 -50.44 69.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -56.36 -37.77 70.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -44.74 90.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 58.4 mmm -67.44 -32.06 72.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.47 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.19 -62.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.54 -177.75 1.0 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.689 ' HE2' ' N ' ' A' ' 79' ' ' THR . 2.4 p-80 -136.59 147.43 46.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -140.37 -40.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.566 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 9.6 tp -140.1 111.86 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.8 t -96.68 135.8 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.71 120.43 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.76 -175.31 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' N ' ' OG ' ' A' ' 57' ' ' SER . 32.2 p-10 -86.72 167.55 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.629 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -82.52 -14.63 54.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.762 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 55.9 m-20 -43.71 174.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -108.35 67.53 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.762 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -74.91 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.34 -32.04 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.423 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 16.1 mtp -151.32 122.74 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -125.23 171.74 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.17 -37.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.74 -39.82 97.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.4 mp -56.24 -47.44 78.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.471 0.748 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.569 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -56.69 -69.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.443 ' N ' HD23 ' A' ' 70' ' ' LEU . 26.4 mt-30 -43.8 -32.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.96 68.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.04 -51.11 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 11.7 mmm180 -37.66 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.74 -49.99 7.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -100.21 123.09 48.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.499 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.1 -16.3 20.05 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -47.03 86.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.689 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -88.84 -23.55 22.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -60.04 -19.7 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -98.47 -6.68 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.5 155.11 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -98.08 172.06 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.2 136.27 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.517 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.5 mt -111.67 132.56 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.502 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.56 109.36 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.07 167.58 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.629 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -138.47 174.75 10.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 110.445 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -57.85 -16.06 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -118.71 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.47 135.59 1.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 53.8 m-20 -140.94 78.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -60.9 -37.13 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 3.4 mm? -67.6 -47.93 68.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.522 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -62.52 -59.99 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -27.51 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -69.05 -48.83 61.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.461 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -56.83 -51.55 68.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.502 ' CA ' HG11 ' A' ' 107' ' ' VAL . . . -54.91 -48.63 72.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.86 92.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.623 HD21 ' N ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -41.07 -52.81 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.508 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 150.02 39.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.447 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.04 157.72 15.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 0.736 . . . . 0.0 109.353 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.9 t30 -70.49 -49.04 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.72 115.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.779 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.8 p -125.7 128.64 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.0 mm? -121.63 148.16 44.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -103.11 171.69 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.91 62.32 39.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.03 -160.45 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -94.01 19.14 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -120.1 96.95 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.29 -27.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -63.81 -40.85 97.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 120' ' ' ALA . 3.1 tppt? -75.44 -57.68 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -54.96 -54.23 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 20.4 tttt -57.3 -58.43 8.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -34.99 66.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.54 -56.79 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.492 HG21 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.99 -42.42 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.01 -19.32 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.75 -49.06 7.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.622 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -61.47 -29.73 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.622 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 15.9 m-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.99 136.57 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.61 138.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.604 ' CB ' ' HG3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -117.3 119.69 35.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -115.35 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.3 p -125.4 135.97 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.69 171.67 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.82 -10.76 59.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -148.04 134.0 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.45 -51.56 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.665 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 62.2 p -40.4 -53.26 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -64.38 -52.18 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.0 tmm_? -63.73 -71.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.3 mt -67.02 -51.01 60.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 2.9 pp -69.89 -44.02 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.58 -31.61 63.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.78 -47.7 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -48.26 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 1.8 mm? -55.19 -53.12 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.673 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 10.6 pt20 -57.83 -31.6 66.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.0 tt0 -77.31 -11.74 59.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -84.09 -49.85 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.453 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 149.11 49.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.37 1.044 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.673 ' CD1' ' HA ' ' A' ' 27' ' ' GLN . 4.3 p90 -70.99 137.67 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 4.5 mptt -84.77 -49.73 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -145.37 96.81 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.619 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.72 133.13 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.594 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.86 113.6 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -96.16 148.43 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -134.19 -177.9 4.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.16 -57.18 20.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.616 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.03 168.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.6 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.25 -111.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.537 1.148 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.6 pt-20 -52.32 -52.45 53.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.616 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.05 -45.25 1.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.464 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -55.4 -50.42 69.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.95 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.75 -44.08 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.604 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.56 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.13 79.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.63 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.39 -175.07 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.9 140.68 26.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -131.74 137.49 48.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 0.0 109.621 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -132.81 -39.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 11.6 tp -146.2 112.77 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.1 t -95.65 135.07 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.31 119.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -141.38 -175.16 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' N ' ' OG ' ' A' ' 57' ' ' SER . 14.1 p-10 -86.86 164.85 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.237 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.595 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -81.54 -14.41 56.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 65.8 m-20 -45.77 176.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.57 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.1 ptp -108.07 68.13 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.01 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.67 -30.36 69.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.451 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 4.1 mtt -152.15 122.19 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.9 t70 -124.11 171.76 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.75 -37.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.37 -64.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.91 -39.92 97.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.05 -48.16 76.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.1 tt -57.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.45 ' N ' HD21 ' A' ' 70' ' ' LEU . 17.2 mt-30 -42.86 -32.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.19 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.45 66.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.66 -51.21 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 13.7 mmm180 -37.83 -30.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.54 -51.05 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -99.82 124.42 44.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -14.46 21.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.535 ' HB1' ' HE2' ' A' ' 52' ' ' HIS . . . -63.93 -47.45 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -88.58 -23.08 23.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -59.19 -19.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 -3.03 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.19 155.43 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -97.39 171.62 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.714 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -151.07 134.93 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.543 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.3 mt -109.55 130.05 63.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.551 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -128.08 108.4 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -128.32 166.01 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -139.83 174.57 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.79 -13.9 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -115.71 -87.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.12 133.9 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 34.9 m-20 -141.13 78.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD3' ' CD ' ' A' ' 116' ' ' LYS . 54.9 mtm180 -57.59 -37.9 73.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.83 92.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -60.07 -48.08 83.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.517 ' CG2' ' HB3' ' A' ' 109' ' ' ALA . 1.2 t -65.24 -61.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -28.42 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 1.7 mttm -69.16 -48.99 60.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.471 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.66 -53.45 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.473 ' CA ' HG12 ' A' ' 107' ' ' VAL . . . -53.67 -48.66 69.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.75 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -40.61 -53.41 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 152.64 39.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -94.24 157.67 15.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 5.2 t-20 -70.55 -50.9 32.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.518 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 9.2 m-80 -164.95 115.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.714 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -127.33 130.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.522 ' CD2' ' HB ' ' A' ' 124' ' ' VAL . 2.4 mm? -124.13 147.9 47.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.517 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . . . -104.0 172.03 7.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -136.63 63.73 48.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.452 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.06 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -92.47 19.55 7.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -121.48 96.9 5.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -26.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 32.1 tt0 -64.29 -40.17 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.176 . . . . 0.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -75.27 -57.92 3.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.3 ttt -55.51 -53.04 61.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 9.1 ttpt -58.11 -58.88 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -35.67 67.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -55.6 -55.47 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -56.85 -42.5 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.18 -20.51 18.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.87 -45.81 9.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.622 HG12 ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -62.55 -29.93 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.622 ' CD1' HG12 ' A' ' 124' ' ' VAL . 16.1 m-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.62 138.59 21.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.69 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.78 134.89 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.65 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.46 119.7 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.43 90.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.659 HG21 ' C ' ' A' ' 37' ' ' ALA . 5.2 p -124.59 138.41 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -149.35 170.92 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.587 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -74.1 -21.43 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 138.07 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -52.15 -52.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.646 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 77.0 p -38.42 -52.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 m -64.19 -52.84 56.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.563 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.29 -31.86 0.09 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.0 mt -66.84 -51.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -70.64 -45.16 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.71 -31.7 60.94 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -75.33 -48.13 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -48.23 69.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.658 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.4 mm? -54.72 -52.79 61.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 7.3 pt20 -59.95 -32.38 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -77.67 -11.68 59.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.661 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.66 -49.94 10.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.2 50.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.69 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.4 m-30 -76.89 158.82 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 tt0 -137.32 111.47 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -83.94 133.3 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.511 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.73 113.2 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.98 150.45 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.888 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.3 -177.74 4.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.28 -56.97 21.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.63 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.32 168.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.81 -110.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.589 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.38 -53.27 38.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.286 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.63 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.1 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.888 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.79 -45.85 1.08 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.445 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -54.64 -50.66 67.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 11.2 mtmt -56.75 -37.31 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -59.1 -43.73 89.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.0 mmm -67.55 -33.29 74.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 111.046 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.37 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.09 -63.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.603 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.26 -176.48 0.71 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.75 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -136.4 144.52 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -137.21 -38.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -145.21 119.59 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.0 t -99.25 139.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.617 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.13 119.32 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -143.23 -175.71 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.4 t0 -89.39 172.25 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.698 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.5 -14.77 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 18.7 p-10 -42.21 172.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.539 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.03 68.74 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.99 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -63.13 -31.79 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 14.4 mtp -148.1 117.08 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 67' ' ' LEU . 37.4 t0 -118.43 171.92 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.63 -39.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.86 -63.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.4 -41.28 98.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.1 mp -56.14 -47.59 77.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.598 HD13 ' N ' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -58.24 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' N ' HD21 ' A' ' 70' ' ' LEU . 14.2 mt-30 -43.81 -31.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.0 69.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.88 -51.15 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 13.4 mmm180 -38.12 -30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.24 -53.32 5.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -95.18 123.71 56.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.0 -13.57 21.37 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.75 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -65.98 -46.22 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -90.43 -22.44 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.368 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.492 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -56.61 -23.3 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 0.93 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.62 145.54 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 106' ' ' ASN . . . -90.11 172.09 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.736 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.6 138.65 23.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.581 ' CG1' HG21 ' A' ' 56' ' ' ILE . 11.4 mm -110.55 131.81 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.698 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 6.9 mm -128.25 109.73 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.64 168.72 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.641 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -140.84 174.86 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.445 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.467 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.78 -16.43 16.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -123.21 -86.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.42 134.73 1.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 21.8 m-20 -140.05 78.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -59.76 -33.45 71.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -57.63 -50.27 73.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.529 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -61.96 -58.8 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -28.91 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.514 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.34 -51.24 54.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.434 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -52.81 -50.86 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.04 70.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.21 -48.83 66.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.4 mm? -39.41 -44.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.559 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.08 44.39 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.598 ' N ' HD13 ' A' ' 70' ' ' LEU . . . -95.12 158.17 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.24 -48.83 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -166.43 116.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.736 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 9.8 p -128.9 127.28 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 85' ' ' ILE . 2.4 mm? -122.34 148.21 45.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.529 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -105.08 172.5 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -132.42 64.33 71.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.99 -160.1 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.04 19.89 12.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.073 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.67 96.42 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.408 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.81 -27.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 9.7 mt-10 -64.16 -41.19 97.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.33 -57.53 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.521 ' O ' HG21 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -55.15 -54.77 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 ttmm -56.49 -58.56 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.61 -35.36 65.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.517 ' HB1' ' CG ' ' A' ' 108' ' ' LEU . . . -59.42 -56.08 26.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.23 -42.01 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.75 -20.39 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.89 -48.82 7.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.56 -32.45 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.606 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.5 m-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.405 ' HB ' ' HG3' ' A' ' 32' ' ' LYS . 4.1 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -151.23 141.78 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.598 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.05 137.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.619 ' CB ' ' HG3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -118.96 119.18 33.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.591 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.61 90.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.703 HG23 ' C ' ' A' ' 37' ' ' ALA . 4.5 p -125.46 137.17 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.82 171.21 16.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -78.63 -17.52 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.34 134.02 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.04 -52.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.673 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 59.5 p -39.69 -52.03 2.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.16 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.4 m -64.07 -53.97 41.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.9 tmm_? -63.75 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -40.25 -30.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.673 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.1 mt -67.0 -51.87 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 3.2 pp -69.75 -46.2 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.586 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.3 -31.7 62.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 17.6 m-20 -74.74 -49.07 22.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.43 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.586 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -56.13 -48.47 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.35 -31.66 70.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.617 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 5.4 tt0 -73.6 -10.98 60.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.75 -47.94 9.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.75 61.07 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.715 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 3.6 p90 -76.19 172.85 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HG3' ' HB ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -86.02 -63.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.5 tt0 -143.15 97.33 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.715 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -73.01 140.54 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.557 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -141.66 116.2 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.436 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.65 146.74 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.884 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -132.01 -177.07 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -57.27 17.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.619 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 179.22 168.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 0.787 . . . . 0.0 109.351 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.18 -112.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.2 pt-20 -50.58 -52.43 39.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.619 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.09 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.884 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.61 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -57.08 -36.15 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.64 -44.91 94.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.619 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.03 -32.92 74.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.43 77.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.69 -63.83 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.624 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.37 29.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.837 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -136.44 145.3 45.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.665 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -141.13 -40.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 1.4 tp -141.05 111.42 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.0 t -96.11 136.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.618 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -138.37 120.11 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.0 t -142.09 -175.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.937 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.9 p-10 -86.14 163.13 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -80.07 -14.61 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.75 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 75.9 m-20 -46.03 176.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.581 ' O ' ' CG ' ' A' ' 61' ' ' MET . 2.8 ptt? -108.4 68.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.75 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.1 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.552 1.817 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.12 -30.92 70.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.441 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 18.2 mtp -150.94 119.84 6.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.8 t0 -120.13 172.46 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.79 -37.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.616 1.198 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.32 -63.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.86 -41.88 99.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -48.79 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -57.31 -69.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 70' ' ' LEU . 20.4 mt-30 -42.7 -31.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.39 66.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.063 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.64 -50.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.514 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 22.4 mmm-85 -38.01 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 110.197 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.83 -53.38 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.95 123.95 55.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -11.8 21.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.599 1.841 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.837 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -67.22 -45.92 75.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.611 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -90.7 -22.47 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -57.81 -20.63 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.14 3.79 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.24 154.63 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.434 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -96.0 170.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.707 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.3 134.49 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.3 mt -109.13 130.31 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.561 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.64 106.87 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.611 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.65 162.39 28.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.592 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -134.71 174.47 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.62 -15.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.94 -85.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.35 136.23 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.618 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 76.2 m-20 -141.28 77.88 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -57.29 -36.34 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -65.09 -39.97 93.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.59 -49.48 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.54 HG21 ' CB ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.34 -60.08 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 25.0 mttt -67.52 -49.6 62.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.501 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -54.14 -51.92 62.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.41 67.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.73 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 3.0 mm? -40.29 -45.92 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.536 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.79 46.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.406 1.066 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.594 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.83 157.98 15.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.8 t-20 -71.11 -49.58 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.34 115.44 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.7 p -127.25 129.94 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.49 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 1.8 mm? -122.7 146.78 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.54 ' CB ' HG21 ' A' ' 96' ' ' VAL . . . -104.19 171.74 7.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.2 OUTLIER -138.28 62.69 32.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.507 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -160.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.26 19.13 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -120.6 95.62 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.93 -26.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 8.1 tt0 -64.33 -41.2 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -75.04 -57.93 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.51 ' O ' HG21 ' A' ' 121' ' ' ILE . 9.6 tmm? -54.84 -53.91 49.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.3 ttmm -57.52 -58.47 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.99 -35.37 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 116' ' ' LYS . . . -56.55 -56.77 17.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.51 HG21 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.15 -42.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.83 -20.77 16.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.74 -49.29 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.629 HG11 ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.6 -30.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.629 ' CD1' HG11 ' A' ' 124' ' ' VAL . 15.9 m-30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 8' ' ' LYS . 4.4 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.23 142.21 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -124.96 137.25 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.606 ' CB ' ' HG3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -118.72 119.28 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.592 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.18 89.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.4 p -125.32 136.8 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.67 171.42 15.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -13.94 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -146.65 135.89 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.86 -52.01 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.665 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 10.9 p -39.45 -53.54 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -63.61 -53.35 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.0 tmm_? -64.01 -71.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.75 -30.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.3 mt -67.1 -52.04 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.74 -46.11 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.596 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.75 -30.92 63.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.3 m-20 -74.88 -48.91 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.94 78.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.586 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.1 mm? -55.4 -47.31 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.619 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.3 pt20 -61.74 -31.44 71.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.619 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -74.39 -11.65 60.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' CD2' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -84.37 -49.0 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.193 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.71 61.14 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 p90 -76.42 171.38 14.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.59 -62.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.536 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.52 96.05 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.688 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -72.83 140.99 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.565 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -142.25 116.48 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.63 148.76 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.874 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.09 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.1 -57.55 16.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.624 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.58 168.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 0.802 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.98 -111.6 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.7 pt-20 -51.65 -52.68 46.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.624 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -38.15 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.874 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.39 -45.49 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 44' ' ' MET . 1.3 tpt -55.55 -50.91 68.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.8 mtmt -56.12 -36.21 67.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.9 -44.9 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.606 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.33 -32.59 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.11 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -64.62 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.226 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.636 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.15 -175.01 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.92 141.63 27.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.559 1.821 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.84 ' HE2' ' N ' ' A' ' 79' ' ' THR . 5.0 p-80 -135.67 142.93 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -139.35 -42.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.632 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 4.2 tp -138.5 112.31 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 4.0 t -97.61 136.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.48 119.91 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -142.62 -175.03 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.1 p30 -90.37 171.3 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.85 -14.34 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.781 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 19.7 m-80 -41.38 172.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.54 ' O ' ' CG ' ' A' ' 61' ' ' MET . 2.6 ptt? -108.38 66.61 0.29 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.781 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.0 -159.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.42 1.747 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.89 -31.12 72.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.407 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 15.7 mtt -151.73 124.4 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 67' ' ' LEU . 16.7 t70 -127.14 172.69 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.16 -38.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.6 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.5 -40.28 97.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 2.0 mp -56.13 -48.56 75.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.554 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.2 tt -57.95 -70.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' HD23 ' A' ' 70' ' ' LEU . 16.7 mt-30 -43.88 -31.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.68 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.99 -49.99 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 12.3 mmm180 -37.59 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.1 -50.71 8.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.2 m-20 -100.38 124.34 43.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.503 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.97 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' C ' ' HE2' ' A' ' 52' ' ' HIS . . . -62.57 -46.63 87.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.84 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.38 -23.13 22.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.503 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.34 -18.69 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -5.26 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.66 154.43 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.84 171.03 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.803 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.45 135.39 18.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.539 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 7.0 mt -108.62 132.97 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.694 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 12.8 mm -126.97 109.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.399 1.062 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.02 164.55 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.573 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -139.3 174.64 10.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.59 -15.57 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.63 -88.86 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.09 133.53 1.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 50.9 m-20 -141.11 79.08 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -41.24 87.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.47 91.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -59.86 -48.8 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.558 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -63.72 -61.57 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -28.09 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.639 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 12.2 mttm -69.16 -52.06 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.567 ' HA ' ' HG ' ' A' ' 102' ' ' LEU . . . -50.88 -56.39 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.523 ' CB ' ' CG1' ' A' ' 107' ' ' VAL . . . -56.25 -36.48 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.19 49.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -39.64 -57.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' N ' HD13 ' A' ' 70' ' ' LEU . . . 163.16 43.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.54 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -95.54 154.65 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.18 -49.71 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -165.99 114.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.803 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.4 p -126.95 129.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.526 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.3 mm? -121.89 150.57 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.558 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -110.6 172.01 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -133.37 66.1 73.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.404 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.94 -160.54 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -93.2 19.96 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -123.13 96.25 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.35 -26.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 7.1 tt0 -64.74 -40.9 96.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -75.53 -57.07 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.4 tmm? -55.56 -53.94 50.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 3.7 tttp -57.57 -58.27 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -36.11 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.526 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -55.89 -54.99 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.402 1.064 . . . . 0.0 109.222 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.96 -43.0 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -55.74 -20.23 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.18 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.58 -40.82 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.64 -30.58 50.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 121' ' ' ILE . 52.0 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.29 133.6 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.704 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -121.96 133.57 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -113.1 119.4 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -114.27 89.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.643 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.0 p -126.18 138.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.09 171.18 16.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.43 -9.05 58.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 134.57 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.9 -52.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.65 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 78.1 p -39.47 -52.81 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.617 1.198 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -64.54 -52.25 58.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.069 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.4 -31.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.65 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.6 mt -67.39 -51.5 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -69.99 -44.65 68.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.64 -32.07 61.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.7 m-20 -75.58 -46.52 31.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -48.09 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.668 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.6 mm? -55.84 -53.26 58.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 8.0 pt20 -58.83 -33.29 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.9 tt0 -77.84 -12.29 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.652 HD22 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.36 -49.88 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.15 49.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.704 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.4 m-30 -76.13 159.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 7' ' ' ILE . 5.7 mmtt -81.61 -63.96 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -137.19 110.12 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG22 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.1 132.99 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.529 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.8 113.5 9.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.566 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 153.9 17.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.02 -178.12 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.59 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.644 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.86 167.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.38 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 13.41 -108.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.61 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.9 pt-20 -50.57 -53.34 31.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 110.297 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -39.12 -27.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.53 -43.12 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.511 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.61 -50.38 70.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.03 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' MET . 17.3 mtpt -56.97 -37.0 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.408 HG23 ' ND2' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.09 -43.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.626 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 6.5 mmt -68.89 -33.35 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.97 80.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.2 -62.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -176.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 141.69 26.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.825 ' HE2' ' N ' ' A' ' 79' ' ' THR . 4.7 p-80 -134.6 142.01 46.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.561 1.163 . . . . 0.0 109.554 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -134.55 -37.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -149.23 119.72 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.7 t -98.16 140.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.612 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.18 118.88 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.552 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.13 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' N ' ' OG ' ' A' ' 57' ' ' SER . 13.3 t70 -91.86 171.93 8.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -80.46 -16.39 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.739 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m120 -40.56 170.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.544 ' O ' ' CG ' ' A' ' 61' ' ' MET . 1.1 ptp -109.28 68.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.99 -160.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.36 -32.13 70.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.377 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.9 mtt -148.6 117.94 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.6 t70 -118.97 171.92 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.91 -39.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.5 mm? -72.87 -63.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.03 -42.03 98.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.579 1.175 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -47.94 75.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -57.41 -68.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' HD22 ' A' ' 70' ' ' LEU . 14.5 mt-30 -43.43 -32.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 68' ' ' GLY . . . -63.14 -51.31 66.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 74' ' ' ARG . 0.9 OUTLIER -57.82 -51.76 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.526 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 14.3 mmm180 -38.22 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.04 -50.61 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -99.86 124.61 43.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.01 -15.44 20.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.501 ' C ' ' HE2' ' A' ' 52' ' ' HIS . . . -64.55 -45.2 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.825 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -90.92 -22.81 20.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.515 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -57.31 -21.62 36.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 -1.29 35.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 152.72 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.18 172.1 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.739 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.29 137.13 21.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.567 ' CG1' HG22 ' A' ' 56' ' ' ILE . 8.3 mm -110.95 130.3 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.54 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 1.1 mm -129.35 108.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.2 171.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.691 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 1.6 t -142.22 174.37 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.69 -15.97 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.88 -86.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.51 135.97 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.172 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.601 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 38.3 m-20 -140.2 78.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.454 ' CD ' ' HE3' ' A' ' 116' ' ' LYS . 1.1 mtm105 -60.2 -36.52 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -64.91 -39.89 94.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.644 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.79 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.525 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -64.92 -59.11 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.91 -30.13 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 7.8 mttm -68.0 -50.66 54.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -53.46 -50.18 65.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.67 72.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.11 -49.11 66.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.2 mm? -39.55 -46.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.21 46.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.45 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 37.3 t30 -71.38 -49.45 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.02 115.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.739 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 10.9 p -129.44 127.04 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.7 mm? -122.93 146.73 47.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.7 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.065 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.501 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -132.91 65.78 74.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.512 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.99 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.29 19.27 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.512 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -120.77 93.67 4.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.16 -29.41 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.9 tm-20 -63.61 -41.24 98.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -75.4 -58.03 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.501 ' HG3' ' CG ' ' A' ' 110' ' ' LYS . 1.7 ttp -54.61 -54.36 42.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 6.9 ttmt -56.92 -57.95 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.45 -35.16 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.557 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.29 -56.2 25.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -58.42 -42.44 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -56.04 -20.44 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.42 -48.58 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.72 -31.5 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.612 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 2.6 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.7 138.7 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.613 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.64 132.78 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.652 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -113.2 120.96 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -115.97 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' C ' ' A' ' 37' ' ' ALA . 5.1 p -124.84 138.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -147.07 172.04 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.89 -16.73 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.07 -51.83 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.648 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 61.6 p -40.5 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 m -63.86 -52.44 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.681 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.0 tmm_? -64.75 -72.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.56 -31.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CG ' ' O ' ' A' ' 17' ' ' THR . 10.5 mt -68.58 -51.4 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 11' ' ' ILE . 4.3 pp -70.5 -48.14 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -53.73 -32.78 47.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.2 m-20 -75.64 -46.78 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.618 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.1 mm? -55.29 -52.62 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 8.2 pt20 -59.03 -32.63 69.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.487 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 tm0? -77.57 -11.76 59.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD22 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.59 -49.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.467 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.7 49.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.623 ' CE1' HD22 ' A' ' 29' ' ' LEU . 1.4 m-30 -77.35 158.96 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -80.87 -64.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -136.34 112.13 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CG2' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -85.11 134.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.551 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -138.05 112.59 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -96.5 151.73 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -139.01 -178.06 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.29 -56.68 22.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.633 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.61 169.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.28 -111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.0 pt-20 -51.91 -52.74 47.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.756 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.633 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -37.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.13 -45.49 1.09 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.616 1.197 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.443 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.1 tpt -55.27 -50.77 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 0.824 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 41' ' ' GLU . 6.7 mmmt -56.39 -37.63 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 59.4 mmm -66.94 -33.43 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.81 82.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.73 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.2 -176.11 0.66 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 142.88 28.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.753 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.545 ' CB ' ' CE ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -137.83 143.77 41.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -137.01 -38.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -144.37 115.37 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.6 t -97.33 136.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -138.8 119.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -143.01 -175.58 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' N ' ' OG ' ' A' ' 57' ' ' SER . 38.7 p-10 -84.88 168.99 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.614 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -83.02 -14.87 53.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.756 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 30.4 m-80 -42.48 172.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 61' ' ' MET . 1.7 ptt? -108.58 67.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.756 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.98 -159.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.813 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.89 -31.21 70.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.43 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 25.9 mtp -152.35 122.78 7.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' LEU . 14.3 t70 -125.29 170.94 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.64 -38.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.66 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.73 -40.46 98.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.2 mp -55.16 -47.86 74.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.59 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.25 -69.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' N ' HD23 ' A' ' 70' ' ' LEU . 22.1 mt-30 -44.19 -32.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.95 -49.68 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.58 -51.03 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.52 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 20.2 mmm-85 -38.23 -30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.66 -49.44 9.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -101.9 123.17 44.73 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.484 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -12.35 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.53 72.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -22.88 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.516 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -57.69 -19.16 25.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.51 -5.71 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.55 153.61 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.796 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.0 134.78 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 5.8 mt -112.59 133.13 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -125.14 109.75 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -119.76 161.96 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.614 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -136.74 174.72 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.13 -15.0 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -122.99 -88.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 92' ' ' ASP . . . 168.05 135.23 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 31.2 m-20 -140.28 78.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -59.92 -36.17 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -65.81 -40.3 91.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.08 -49.81 76.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.553 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.34 -59.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.05 -27.75 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -69.26 -48.98 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.461 ' CA ' HG11 ' A' ' 107' ' ' VAL . . . -54.51 -48.27 72.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.7 91.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.595 ' N ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -41.79 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.497 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 150.9 39.24 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -94.53 157.37 16.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 62.7 t30 -70.83 -49.22 48.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 72.6 m-80 -165.09 117.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.796 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.2 p -127.9 128.51 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.535 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.2 mm? -120.9 147.12 45.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.553 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.92 172.03 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -134.68 65.1 65.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.577 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.96 -160.4 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.21 20.73 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.577 HG23 ' HG2' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -124.08 95.73 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.03 -26.55 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 5.4 mt-10 -63.1 -42.2 99.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.9 OUTLIER -75.66 -57.14 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 121' ' ' ILE . 11.3 tmm? -54.77 -53.92 48.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 ttmt -57.92 -58.65 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.42 -35.05 64.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.535 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.11 -55.4 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.16 -42.02 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -56.17 -20.03 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.39 -48.79 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.234 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.3 -32.03 49.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.599 ' CD1' HG13 ' A' ' 124' ' ' VAL . 16.4 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 3.5 mp . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.69 139.89 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.53 134.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.654 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.46 122.73 46.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -117.91 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.689 HG21 ' C ' ' A' ' 37' ' ' ALA . 5.5 p -125.01 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.97 171.82 14.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.5 t0 -77.8 -17.39 57.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 135.07 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.74 -51.94 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.656 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 59.6 p -39.66 -53.24 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 m -63.78 -52.83 58.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.1 tmm_? -64.35 -71.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.617 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.66 -30.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.656 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.6 mt -67.67 -52.28 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.33 -46.16 64.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.589 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.23 -30.9 61.65 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 14.1 m-20 -75.4 -47.19 28.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -47.36 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.596 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 1.5 mm? -55.78 -51.03 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 11.9 pt20 -61.36 -32.72 72.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 11.0 tp60 -77.04 -11.61 59.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.617 HD23 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.09 -49.1 12.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.46 50.92 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -75.73 162.04 28.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 mptt -80.71 -64.2 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -137.67 112.4 8.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 ' CG2' HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -86.09 133.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.583 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.15 112.89 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.33 150.35 21.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.875 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.38 -177.85 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.27 19.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.63 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.16 168.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.373 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.34 -111.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.595 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.46 -52.71 44.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.63 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.72 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.875 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.61 -45.24 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.453 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 2.2 tpp -55.38 -50.7 69.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.8 mtmt -56.53 -37.27 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -59.09 -44.56 91.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 mmm -66.63 -32.33 73.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.85 81.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -63.89 -63.41 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.601 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.74 -176.44 0.76 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.33 29.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.955 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -138.04 149.01 45.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.574 ' CD2' HD11 ' A' ' 54' ' ' LEU . 10.7 t-160 -141.14 -50.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.89 110.7 11.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.6 t -94.28 135.03 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.621 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.11 119.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -141.54 -175.27 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 19.8 p-10 -86.78 163.66 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.638 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -79.81 -14.43 58.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.745 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 52.4 m-20 -45.61 176.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.573 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.41 68.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.745 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.01 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -59.46 -31.93 69.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.2 mtt -148.69 117.25 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 25.2 t0 -117.16 172.67 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.47 -38.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.45 -63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.55 -41.59 98.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.2 mp -55.78 -48.33 75.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.3 tt -57.17 -69.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 1.19 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' HD22 ' A' ' 70' ' ' LEU . 19.0 mt-30 -42.7 -32.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.24 69.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.583 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -58.24 -51.39 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 10.0 mmm180 -38.28 -29.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.23 -53.6 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.47 123.75 57.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.91 -14.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.576 1.829 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.955 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -65.92 -45.27 82.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.603 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -89.88 -22.74 21.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.462 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -59.42 -24.95 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -98.84 -2.52 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.42 153.82 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.416 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -94.67 172.14 8.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.728 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.21 133.86 17.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 16.5 mt -109.31 130.25 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.553 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -126.81 106.64 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.638 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -130.01 161.7 30.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.609 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -135.58 174.57 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.13 -13.45 12.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -115.82 -85.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.02 134.02 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.622 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 86.3 m-20 -140.65 77.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -57.03 -34.91 68.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -67.02 -38.97 86.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.58 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.53 -49.15 78.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.563 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.84 -59.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -30.94 8.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.517 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 31.9 mttt -67.17 -50.91 59.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.46 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.37 -50.7 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.39 -44.7 68.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.71 72.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.3 mm? -40.8 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.541 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.83 44.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.61 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.74 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.384 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 80' ' ' LYS . 2.3 t30 -71.09 -49.4 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.47 115.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.728 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -126.28 129.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.518 HD11 ' CB ' ' A' ' 120' ' ' ALA . 1.8 mm? -122.38 148.74 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.557 ' CB ' HG23 ' A' ' 96' ' ' VAL . . . -107.33 172.79 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -137.76 62.75 36.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.486 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.0 Cg_endo -74.99 -161.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.48 19.26 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.486 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.78 96.25 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.78 -26.81 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 12.3 tt0 -64.04 -40.11 95.58 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -75.29 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.498 ' O ' HG21 ' A' ' 121' ' ' ILE . 2.7 ttt -55.03 -54.43 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.1 ttmt -56.28 -59.13 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.64 -36.22 66.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 108' ' ' LEU . . . -57.42 -56.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.498 HG21 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.37 -41.68 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -56.38 -20.34 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.1 -47.71 8.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.463 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.08 -35.64 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 1.4 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.58 136.99 18.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.676 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -127.04 135.71 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.654 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.86 122.84 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -118.16 90.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.9 p -125.29 137.57 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.478 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.41 171.95 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 t70 -78.75 -14.52 59.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.35 133.46 22.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -51.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.655 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 69.9 p -40.28 -52.55 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 m -64.34 -52.63 57.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.1 tmm_? -64.46 -71.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.55 -31.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.655 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.0 mt -67.51 -51.84 46.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.44 -45.75 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.232 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.86 -31.09 60.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.0 m-20 -75.6 -47.45 26.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.31 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 mm? -55.68 -52.34 64.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.7 pt20 -59.19 -32.66 70.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.471 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 17.7 tt0 -78.7 -11.45 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.603 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.18 -49.88 12.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.199 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.57 47.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.582 1.176 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.676 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.3 m-30 -76.08 158.8 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -81.64 -64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.495 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 2.1 mm-40 -135.43 114.41 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CG2' HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -87.91 133.69 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.586 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -135.21 113.21 11.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.534 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -98.15 149.18 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.881 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.83 -177.63 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.12 -57.2 19.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.625 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.77 168.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.73 -112.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 22.2 pt-20 -51.74 -52.47 48.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.625 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -29.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.881 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.57 -45.71 1.03 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.44 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.2 tpt -54.98 -50.52 68.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.8 mtmt -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.95 -43.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 22.6 mmt -67.54 -32.77 73.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.49 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.19 -175.88 0.66 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 141.69 27.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.83 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -136.58 144.96 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.486 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 3.0 t-160 -137.07 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.558 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.67 110.86 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 4.5 t -95.44 133.74 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.629 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -135.49 120.33 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.7 t -141.98 -175.08 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 57' ' ' SER . 22.3 p-10 -87.91 164.56 15.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -81.37 -13.93 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.77 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 56.8 m-80 -45.08 176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 61' ' ' MET . 1.6 ptm -107.91 67.57 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.77 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.7 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.2 mtt -149.83 121.85 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.6 t0 -123.98 172.24 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.32 -37.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.59 -64.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.56 -39.21 97.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.5 mp -56.58 -48.39 77.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -57.22 -69.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' N ' HD21 ' A' ' 70' ' ' LEU . 14.5 mt-30 -43.48 -31.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.83 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.42 -51.37 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 8.0 mmm180 -37.76 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.57 -52.06 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -97.86 123.47 51.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -12.95 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.83 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -64.11 -46.24 85.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.59 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -91.79 -22.97 19.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.27 -20.35 41.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -0.78 29.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.73 154.26 19.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -95.15 172.0 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.738 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.91 134.73 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.54 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 17.5 mt -109.43 130.04 63.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.69 108.48 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -128.25 165.25 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -139.48 174.4 10.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.46 -13.88 16.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -115.52 -86.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.38 135.18 1.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.384 1.053 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.561 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 75.3 m-20 -141.61 79.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -58.76 -36.98 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -65.33 -39.83 92.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.38 -47.44 85.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -65.15 -60.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.76 -27.75 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 6.8 mttt -69.72 -49.43 53.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.35 -53.66 54.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' CA ' HG13 ' A' ' 107' ' ' VAL . . . -53.85 -48.36 70.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.58 91.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.61 ' N ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.491 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.33 40.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.437 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.72 157.21 16.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -70.55 -49.73 44.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 116.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.738 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.4 p -128.05 128.63 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.526 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.0 mm? -122.22 147.56 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.511 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -103.56 171.86 7.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.47 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.4 OUTLIER -138.18 63.79 37.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -90.35 19.41 5.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.382 1.051 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.88 96.87 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -52.14 -26.85 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mt-10 -64.26 -40.85 96.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 120' ' ' ALA . 11.9 tptp -74.79 -58.01 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 121' ' ' ILE . 3.2 ttt -55.25 -54.79 38.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -56.13 -58.32 8.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.21 -36.24 68.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.526 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -57.74 -56.37 22.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.8 -42.09 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.96 -20.08 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.55 -47.41 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.479 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.18 -35.35 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 32' ' ' LYS . 2.0 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.6 129.07 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -114.6 136.26 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.643 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -116.5 120.02 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.614 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -115.36 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.711 HG23 ' C ' ' A' ' 37' ' ' ALA . 5.0 p -124.75 139.26 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.24 171.18 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -77.78 -16.88 58.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -142.29 134.0 26.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.82 -53.15 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.649 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 73.7 p -38.71 -52.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -63.93 -53.5 49.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 6.2 tmm_? -64.48 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.07 -31.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.649 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.3 mt -67.77 -52.3 38.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.5 pp -70.98 -46.67 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -58.13 -30.72 64.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.9 m-20 -74.91 -47.76 28.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.35 69.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 31' ' ' PHE . 1.3 mm? -56.52 -52.05 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 7.9 pt20 -59.41 -32.59 70.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 18.7 tp60 -74.5 -14.97 60.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.603 HD21 ' CE2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -74.2 -47.75 33.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.79 52.24 0.3 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.575 1.172 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CE2' HG11 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -75.13 179.28 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.96 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' CB ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -83.17 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 9' ' ' VAL . 2.0 tt0 -141.63 111.65 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.581 ' CG2' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -86.73 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.545 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -141.41 115.54 9.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -98.04 148.37 23.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.86 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.01 -177.28 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.44 -57.61 15.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.628 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 179.65 168.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.35 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 16.9 pt-20 -50.9 -52.53 41.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.628 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.92 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.86 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.38 -45.28 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.527 ' CE ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -55.02 -50.46 69.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.4 mtmt -56.42 -37.79 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -59.1 -43.83 90.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.643 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 57.6 mmm -67.88 -32.5 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.0 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.19 -63.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.627 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.61 -175.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 142.21 27.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.646 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -139.52 135.75 33.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.423 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -132.01 -32.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.87 119.29 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.7 t -105.24 136.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -139.34 118.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.14 -176.44 4.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' N ' ' OG ' ' A' ' 57' ' ' SER . 20.3 p-10 -82.12 164.03 21.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.635 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -80.86 -14.32 58.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 54.5 m-20 -44.72 175.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.564 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.4 ptt? -108.74 67.77 0.34 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.98 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.61 -35.63 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.1 mtp -146.08 120.87 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -124.1 170.77 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -28.43 -36.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.57 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.739 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.26 -39.58 97.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.4 mp -56.44 -48.46 76.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.568 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.34 -70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD23 ' A' ' 70' ' ' LEU . 17.8 mt-30 -43.94 -32.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.78 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.31 -51.44 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 15.7 mmm180 -38.26 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -87.06 -47.96 8.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -100.32 119.76 58.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.95 -14.96 21.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.646 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -62.66 -46.27 88.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.599 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -90.73 -22.95 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.42 -21.26 50.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' CA ' ' HE2' ' A' ' 80' ' ' LYS . 13.1 pttt -96.72 -6.22 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.97 155.36 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -97.35 172.27 7.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.0 134.1 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 56' ' ' ILE . 18.8 mt -110.6 132.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.76 108.34 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.635 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -128.26 160.68 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -134.53 174.61 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.38 -14.46 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -115.39 -85.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.11 135.17 1.99 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 80.1 m-20 -141.39 79.41 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -37.06 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.82 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.3 -47.97 81.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.553 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.1 t -64.58 -59.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.38 -27.23 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 8.2 mttm -70.25 -48.93 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.374 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.484 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -55.79 -51.97 65.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' CA ' HG13 ' A' ' 107' ' ' VAL . . . -54.75 -48.8 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.29 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.618 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -42.25 -53.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.503 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 151.2 39.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.8 157.13 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.47 -48.72 47.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.74 116.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.779 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.7 p -126.2 129.78 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 120' ' ' ALA . 1.7 mm? -122.28 147.75 45.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.553 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.95 172.01 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -137.64 62.9 37.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.487 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.0 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.49 19.66 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.75 96.99 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.89 -26.53 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -63.86 -40.69 97.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -75.24 -57.29 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.513 ' O ' HG21 ' A' ' 121' ' ' ILE . 2.5 tmm? -55.63 -53.76 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 tttp -57.48 -58.68 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.87 -35.61 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.505 ' CB ' HD11 ' A' ' 108' ' ' LEU . . . -57.86 -56.01 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.513 HG21 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.23 -42.35 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.64 -20.34 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.33 -49.44 7.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.389 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.32 -31.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HZ1' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.76 137.52 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.731 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.21 130.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.629 ' HB3' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -111.76 118.91 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -113.42 90.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.8 p -125.28 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.142 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.02 171.35 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.42 -9.05 58.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 1.198 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.73 136.5 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.44 -52.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.653 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 16.7 p -39.36 -53.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -64.02 -52.31 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.5 tmm_? -64.57 -71.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -38.9 -31.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.653 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.6 mt -66.7 -52.09 48.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.29 -45.2 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.589 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.11 -31.76 59.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.3 m-20 -75.92 -47.13 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -47.68 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.655 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.6 mm? -55.78 -53.66 53.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 11.5 pt20 -58.4 -33.09 69.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -76.47 -12.31 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD23 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.51 -49.45 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.87 50.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.731 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.3 m-30 -76.34 158.71 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -81.01 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -136.38 111.91 9.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -84.96 131.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.37 114.24 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.553 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -98.05 152.86 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.852 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.29 -177.9 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.82 -56.47 24.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.635 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.46 168.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.63 -111.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.9 pt-20 -51.45 -52.94 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.635 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.89 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.852 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.08 1.06 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.61 -50.63 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 12.9 mtmt -56.79 -35.43 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG21 ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -60.0 -44.4 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.7 -33.53 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.06 75.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.92 -64.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.199 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.622 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.9 -175.51 0.57 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.02 140.54 25.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.651 ' HE2' ' N ' ' A' ' 79' ' ' THR . 4.3 p-80 -134.58 147.39 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -142.33 -38.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.26 115.82 7.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.8 t -96.29 137.58 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -138.46 118.36 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -143.24 -175.53 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.2 p-10 -88.27 171.11 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.707 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.09 -13.71 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 m120 -41.65 172.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -108.64 67.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.054 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.02 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.69 -31.57 71.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.43 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 9.9 mtp -150.08 121.69 8.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.549 1.155 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 67' ' ' LEU . 10.6 t70 -123.74 171.57 9.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.79 -39.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.2 mm? -73.01 -64.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -59.53 -40.69 96.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.98 -48.17 73.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.61 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -56.77 -68.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -43.64 -31.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -49.82 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.539 HG12 ' CZ ' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -56.92 -49.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -38.29 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.47 -53.17 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.7 m-20 -93.98 123.3 59.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -14.51 20.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . . . -67.08 -46.57 73.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.651 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -87.71 -22.51 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -55.69 -26.91 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 5.95 38.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -100.36 151.88 20.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.65 171.49 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.735 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.68 138.38 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.554 ' CG1' HG22 ' A' ' 56' ' ' ILE . 10.7 mm -109.49 131.99 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.707 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 5.5 mm -127.63 109.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -122.12 164.74 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -140.67 174.22 10.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.9 -15.24 28.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.63 -87.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.16 135.98 1.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.595 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 40.0 m-20 -140.74 79.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -34.78 76.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.64 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.82 -48.76 80.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.532 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.35 -58.88 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -26.61 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 16.6 mttp -69.88 -48.89 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -56.67 -53.73 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' CA ' HG12 ' A' ' 107' ' ' VAL . . . -54.53 -47.75 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.54 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -41.12 -52.79 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.525 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 153.13 38.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -92.3 156.58 17.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -70.76 -49.31 48.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.2 116.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.735 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.4 p -128.77 129.33 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.5 mm? -123.46 148.31 46.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -105.87 173.21 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.7 OUTLIER -133.75 64.36 67.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -160.26 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.443 1.76 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -94.63 19.55 9.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.91 95.06 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.12 -27.69 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.1 mm-40 -64.3 -41.31 96.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -74.97 -57.65 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.486 ' O ' HG21 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -55.31 -54.78 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.5 OUTLIER -56.32 -58.41 8.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -35.36 67.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.546 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.33 -56.02 27.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.06 -41.78 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.05 -20.28 16.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.94 -48.6 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.607 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.56 -32.85 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.607 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.46 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.5 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.22 140.87 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.48 138.42 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.649 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -120.19 120.7 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.594 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -115.43 89.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.7 p -125.28 136.89 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.02 170.51 17.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.12 -16.4 58.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.23 134.09 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.63 -51.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.67 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 10.4 p -39.98 -52.95 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -63.63 -53.86 44.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.9 tmm_? -63.66 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.98 -30.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.67 ' CG ' ' O ' ' A' ' 17' ' ' THR . 7.8 mt -66.78 -51.74 52.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.594 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 3.2 pp -69.95 -46.6 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.07 -30.31 60.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.4 -50.18 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.248 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.62 83.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.2 mm? -56.03 -48.57 75.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 1.1 pt20 -60.41 -31.28 70.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -74.59 -13.21 60.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -83.18 -48.86 10.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.5 61.38 0.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.695 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 2.9 p90 -76.56 171.05 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 3.1 mptt -85.02 -62.61 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.553 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.5 97.61 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.695 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -73.5 139.33 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.55 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -140.22 115.28 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.552 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.45 146.66 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.65 -177.45 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -57.98 15.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.613 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.01 168.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.89 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.579 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.7 pt-20 -51.86 -52.3 50.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.613 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.2 mm-40 -37.46 -29.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.07 -45.15 1.04 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.455 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.2 tpt -55.47 -50.55 69.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.3 mtmt -56.48 -37.04 69.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -59.06 -45.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.649 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.5 mmm -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.63 82.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -64.46 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.0 -177.55 0.97 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 145.14 30.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.811 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -138.17 148.23 44.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.633 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -140.81 -40.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 3.9 tp -139.76 111.02 7.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.612 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.8 t -96.11 134.87 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.625 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -136.72 121.37 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.6 t -142.75 -175.06 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.55 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.7 p-10 -86.03 162.9 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -79.71 -14.9 58.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.724 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 72.3 m-20 -46.78 176.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.579 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.2 ptt? -108.83 69.38 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.13 -160.11 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -58.86 -32.58 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.9 mtt -148.34 118.52 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 67' ' ' LEU . 23.2 t70 -118.78 173.11 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.21 -38.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.21 -64.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 0.72 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.31 -41.85 98.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.71 -47.51 76.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.4 tt -57.31 -69.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' HD22 ' A' ' 70' ' ' LEU . 16.9 mt-30 -42.77 -31.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.75 69.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -58.91 -51.01 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 9.4 mmm180 -38.03 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -88.4 -48.64 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 73' ' ' VAL . 7.5 m-20 -86.29 118.41 70.3 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.98 -12.69 21.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.811 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -72.57 -47.99 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.518 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -85.95 -17.2 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -49.75 -29.87 8.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.53 ' CE ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -103.33 -8.84 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.592 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -82.1 144.61 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.487 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -92.46 172.27 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.743 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.32 134.37 16.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.522 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 7.7 mt -109.9 129.74 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.557 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -125.51 105.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -130.73 163.03 28.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -140.65 174.53 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.21 -12.88 14.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.14 -86.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.182 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.23 133.62 1.97 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.628 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 71.0 m-20 -141.12 78.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 93' ' ' ARG . 12.4 mtm105 -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 98' ' ' LYS . . . -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -60.87 -50.2 74.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.579 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.06 -59.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.68 -31.21 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 5.1 mttp -66.88 -50.23 63.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.99 -50.63 63.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.438 ' N ' HG11 ' A' ' 107' ' ' VAL . . . -53.62 -43.23 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.46 -48.54 64.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.4 mm? -40.05 -45.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 136.72 46.23 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.6 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.92 157.55 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 22.8 t30 -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.05 115.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.743 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -128.11 128.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.513 HD12 ' CB ' ' A' ' 120' ' ' ALA . 1.7 mm? -124.26 145.33 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.53 ' CB ' HG23 ' A' ' 96' ' ' VAL . . . -103.84 171.89 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CB ' ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.12 63.03 48.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.491 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.419 1.747 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.52 19.62 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.491 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.05 96.46 5.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.459 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.0 -26.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.1 tt0 -64.4 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 120' ' ' ALA . 8.1 tptt -74.89 -56.82 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.496 ' O ' HG21 ' A' ' 121' ' ' ILE . 1.3 tmt? -55.79 -55.1 36.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 5.6 tttp -56.21 -58.12 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.49 -36.44 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.513 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -57.51 -57.15 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.496 HG21 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.13 -41.96 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.05 -19.45 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.51 -49.28 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.483 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.95 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 32' ' ' LYS . 2.2 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.91 135.11 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.665 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -123.54 135.23 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.648 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.69 119.3 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.573 HD11 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -113.66 90.61 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.673 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.9 p -126.04 136.03 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -145.0 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -78.67 -13.08 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -146.49 134.52 21.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.76 -52.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.651 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 66.4 p -40.21 -52.39 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -53.08 54.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 5.8 tmm_? -64.37 -71.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.47 -31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.651 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.0 mt -67.44 -52.12 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -69.97 -45.68 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.595 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.38 -31.17 62.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.1 m-20 -75.53 -46.75 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.596 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 1.4 mm? -55.02 -48.67 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.0 pt20 -62.93 -32.01 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.4 tt0 -76.38 -12.29 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.075 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD23 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.4 -49.25 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 131.09 53.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.404 1.065 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -75.97 157.16 33.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CB ' ' HB ' ' A' ' 7' ' ' ILE . 1.5 mmtt -77.14 -64.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 5.1 mm-40 -135.52 111.82 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CG2' HD12 ' A' ' 11' ' ' ILE . 1.3 mt -86.98 132.92 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.573 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.37 113.53 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.57 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.86 149.78 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.896 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.66 -177.96 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.23 -56.94 20.88 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.64 168.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.08 -110.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.599 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -51.98 -53.19 44.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.621 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.8 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.896 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.68 -46.15 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tpp -54.65 -50.85 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' MET . 7.8 mtmt -56.17 -36.81 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -60.27 -43.53 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.648 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.6 mmm -68.04 -32.86 73.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.33 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.67 -62.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.33 -177.0 0.82 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 141.74 27.04 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.74 ' HE2' ' N ' ' A' ' 79' ' ' THR . 3.3 p-80 -135.97 143.49 44.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -134.79 -38.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -144.78 118.46 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.4 t -98.59 139.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.599 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.11 119.07 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -143.16 -174.54 4.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.0 p30 -89.7 171.16 9.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.66 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.43 -14.37 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.768 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 20.9 m-20 -41.85 173.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.534 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.3 ptp -108.43 67.46 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.03 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.43 -31.86 71.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.5 mtp -149.74 122.1 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.39 1.056 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 67' ' ' LEU . 17.2 t0 -124.55 172.01 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.23 -39.58 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.451 1.095 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.642 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.36 -63.78 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.58 -41.11 98.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 1.4 mp -54.88 -48.63 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.561 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.2 tt -58.54 -69.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' N ' HD21 ' A' ' 70' ' ' LEU . 14.1 mt-30 -43.45 -32.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.29 -51.03 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.63 -50.89 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.515 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 20.3 mmm-85 -37.64 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.32 -50.02 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.1 m-20 -101.09 123.28 45.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -14.7 21.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.89 83.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.74 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.19 -23.21 22.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.514 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -58.54 -19.55 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -4.56 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.94 148.25 23.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 172.77 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.768 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.64 137.57 22.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.56 ' CG1' HG21 ' A' ' 56' ' ' ILE . 11.6 mm -109.64 131.98 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.66 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 6.3 mm -126.65 108.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -118.48 162.97 17.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -140.83 173.92 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.43 -14.24 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.09 -89.01 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.04 133.96 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -141.63 79.32 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.467 ' HD3' ' CB ' ' A' ' 116' ' ' LYS . 1.8 mtm180 -61.09 -38.25 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.508 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -62.7 -34.93 78.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 4.6 mm? -67.2 -48.33 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.561 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -62.56 -61.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.98 -29.75 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.62 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.22 -52.78 36.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HA ' ' HG ' ' A' ' 102' ' ' LEU . . . -51.31 -56.26 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.527 ' CB ' ' CG1' ' A' ' 107' ' ' VAL . . . -56.25 -35.3 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -66.61 -53.25 36.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 98' ' ' LYS . 1.1 mt -39.14 -56.94 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.47 ' N ' HD12 ' A' ' 70' ' ' LEU . . . 163.01 43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.585 1.178 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.512 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -95.97 154.9 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.43 -50.69 29.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.27 115.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.768 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -129.86 127.66 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 85' ' ' ILE . 2.5 mm? -121.96 150.22 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -110.62 171.26 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -129.72 69.88 81.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -96.39 21.86 8.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -127.03 99.34 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.4 pp -50.22 -28.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.2 mt-10 -63.2 -40.57 97.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.505 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 5.4 mmtt -74.64 -58.73 3.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.209 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.513 ' O ' HG21 ' A' ' 121' ' ' ILE . 1.5 ttt -55.29 -55.05 35.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 13.0 tttt -55.43 -58.19 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.69 -37.35 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.524 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.13 -56.63 19.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.513 HG21 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -57.88 -41.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.74 -20.4 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.08 -49.36 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.4 -37.39 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 111.075 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.454 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.6 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.57 137.88 28.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.62 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.37 136.02 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.655 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.65 120.72 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.56 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -115.52 89.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.673 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.7 p -124.59 136.89 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -145.91 171.75 14.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.226 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.89 -4.6 53.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -155.57 134.32 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.25 -51.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.648 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 12.6 p -40.29 -53.02 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.3 m -63.99 -53.1 55.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.26 -71.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -38.6 -31.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.5 mt -67.01 -51.92 48.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.78 -45.68 64.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.583 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.62 -31.53 60.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.0 m-20 -75.69 -47.15 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -47.54 68.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.634 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.73 -53.05 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.6 pt20 -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 32.2 tp60 -76.5 -13.17 60.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.641 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.24 -49.66 12.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.48 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 134.88 51.94 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.641 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.67 161.51 28.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mptt -81.09 -63.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -138.72 109.07 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG21 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.62 131.65 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.509 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.11 112.86 10.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 151.74 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.85 -178.28 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -56.8 22.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.632 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.74 168.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 0.785 . . . . 0.0 109.378 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.33 -110.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.5 pt-20 -51.62 -53.41 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.632 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -38.21 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.17 -45.2 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.443 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -55.32 -50.62 69.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 111.022 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 44' ' ' MET . 0.1 OUTLIER -56.6 -37.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -59.34 -44.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.655 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.3 mmm -67.99 -33.14 74.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.4 83.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -64.33 -63.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.593 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.43 -176.67 0.78 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 143.33 28.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.687 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -136.89 142.01 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -132.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.73 118.44 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.1 t -98.76 138.4 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.01 119.12 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.544 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.3 t -142.91 -175.24 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.544 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.9 p-10 -89.72 171.7 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.708 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -83.33 -13.27 55.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 111.046 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.767 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 m120 -41.61 171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.533 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.3 ptp -108.67 67.28 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.767 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.01 -159.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.18 -31.58 72.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.415 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 6.6 mtp -149.79 123.28 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.664 ' O ' ' N ' ' A' ' 67' ' ' LEU . 22.6 t0 -126.8 171.46 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.38 -39.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.664 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.2 mm? -72.65 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.69 -40.05 97.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.2 mp -55.32 -48.03 74.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.578 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.05 -69.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 70' ' ' LEU . 17.4 mt-30 -43.73 -32.18 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 68' ' ' GLY . . . -65.09 -50.41 66.23 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.562 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.4 -51.34 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.52 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 13.7 mmm180 -37.56 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -85.54 -52.57 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.7 m-20 -93.47 121.81 64.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -14.91 20.94 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.687 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -65.79 -45.89 80.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.541 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -88.98 -23.23 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -58.11 -21.05 44.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.91 0.03 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.53 149.01 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -93.07 171.93 8.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.77 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.97 135.53 19.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.546 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 20.7 mt -108.76 132.16 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.706 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 5.9 mm -126.47 110.33 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.27 166.23 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.708 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 4.7 t -141.15 174.64 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.48 -17.4 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -120.65 -86.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.429 ' N ' HG21 ' A' ' 88' ' ' THR . . . 162.03 136.62 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.595 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 29.8 m-20 -140.57 79.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 0.8 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -59.63 -35.71 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.326 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.4 92.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -59.05 -48.39 81.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.55 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -62.81 -59.4 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -26.58 8.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 3.0 mttt -70.1 -49.24 52.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.474 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -56.64 -53.74 54.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.485 ' CA ' HG11 ' A' ' 107' ' ' VAL . . . -54.57 -47.45 73.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.53 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.622 HD21 ' N ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -42.93 -51.93 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 151.3 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.446 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.64 157.44 15.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.6 t-20 -70.46 -50.17 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.5 116.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.77 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.4 p -127.51 128.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.0 mm? -120.49 148.18 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.55 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.29 172.66 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.1 OUTLIER -137.4 64.61 46.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -160.68 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -91.85 19.93 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -122.13 95.83 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -50.98 -27.01 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.6 mm-40 -64.26 -41.0 97.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.44 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.491 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 tmt? -55.11 -54.29 45.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -57.05 -58.44 8.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.52 -36.95 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -57.21 -57.25 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -58.86 -41.73 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.97 -19.98 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.35 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.87 -47.94 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.87 -35.95 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.0 140.34 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.608 HG12 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.92 134.66 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.652 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.02 121.34 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -116.22 90.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.704 HG23 ' C ' ' A' ' 37' ' ' ALA . 5.5 p -124.0 137.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.4 171.63 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.553 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 2.1 t0 -74.54 -22.92 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 138.24 35.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.48 -52.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.65 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 77.9 p -38.21 -53.05 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 m -63.88 -53.51 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.03 -71.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.601 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -38.98 -31.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.65 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.8 mt -67.17 -51.65 51.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -71.1 -45.23 64.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.51 -31.55 63.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.6 m-20 -75.85 -47.06 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.78 68.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.669 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.69 -53.52 55.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 9.1 pt20 -58.85 -33.07 70.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.6 tm0? -75.55 -11.92 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD22 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.22 -49.5 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.5 50.97 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.669 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 1.3 m-30 -75.43 159.62 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -80.83 -63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -137.68 111.65 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -84.86 132.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.501 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.85 113.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.88 151.24 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.12 -177.59 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.2 -57.03 20.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.627 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.99 168.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.216 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -110.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.8 pt-20 -51.53 -53.26 39.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.627 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.97 -28.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.25 -45.38 1.09 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.436 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -55.25 -50.85 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 44' ' ' MET . 10.9 mtmt -56.25 -37.42 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.602 1.189 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -44.52 91.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 51.6 mmm -67.03 -33.29 75.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.68 83.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -64.41 -63.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.604 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.37 -176.37 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.01 143.24 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.666 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -138.12 143.46 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -136.02 -39.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.565 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -143.25 117.27 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.6 t -98.51 138.29 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.54 118.61 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.98 -175.28 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.1 p-10 -87.51 171.52 10.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.712 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.71 -14.61 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 27.3 p-10 -40.88 171.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.16 68.26 0.31 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.02 -159.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.46 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 31.1 mtp -149.37 122.41 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 67' ' ' LEU . 9.0 t70 -125.43 172.39 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.1 -39.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.2 mm? -72.71 -64.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.42 -39.94 96.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.4 mp -55.6 -48.43 74.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.57 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.77 -69.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.454 ' N ' HD22 ' A' ' 70' ' ' LEU . 17.4 mt-30 -43.88 -31.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 110.23 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -64.84 -49.4 70.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.63 -51.71 69.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.53 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 16.3 mmm180 -37.74 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.86 -51.47 6.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.6 m-20 -96.6 123.18 55.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.487 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.01 -15.06 20.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.666 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -64.09 -46.81 82.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.581 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.52 -23.01 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.436 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.515 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -56.2 -21.72 24.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.19 1.64 33.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.53 146.03 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -91.32 172.12 8.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.783 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.26 135.72 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.566 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 21.0 mt -108.92 132.16 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.712 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 6.6 mm -125.99 109.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.67 163.84 17.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -140.07 174.72 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -64.08 -13.35 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.11 -89.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.414 ' N ' HG23 ' A' ' 88' ' ' THR . . . 167.42 134.3 1.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 33.3 m-20 -140.9 79.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -62.49 -36.94 84.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.7 91.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 0.3 OUTLIER -59.11 -49.96 75.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.566 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -62.8 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -27.03 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 6.0 mttm -69.99 -49.18 54.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.5 -53.63 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' CA ' HG13 ' A' ' 107' ' ' VAL . . . -54.38 -48.07 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.19 89.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -40.9 -53.67 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.507 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 154.09 39.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.422 1.076 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.59 157.33 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.08 -49.4 44.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -166.37 115.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.783 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.4 p -126.32 129.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.399 1.062 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.4 mm? -122.57 149.74 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.566 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -110.74 171.54 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -131.44 67.02 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.577 1.83 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.41 19.49 9.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.455 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -123.14 97.8 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.61 -26.92 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.5 mt-10 -64.24 -40.73 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.455 ' CB ' HG23 ' A' ' 113' ' ' THR . 2.2 tmtm? -75.43 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.495 ' O ' ' CG2' ' A' ' 121' ' ' ILE . 7.2 tmm? -55.29 -53.75 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -57.53 -58.91 6.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.49 -36.02 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -56.79 -55.07 39.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.93 -42.06 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -56.23 -20.77 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.75 -41.37 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.476 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.09 -32.07 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 121' ' ' ILE . 48.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.434 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.76 141.26 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.631 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.52 131.15 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.65 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -112.98 122.01 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -116.47 90.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.684 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.8 p -125.4 137.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.408 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.4 t0 -79.38 -9.14 59.53 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.497 1.123 . . . . 0.0 109.381 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -149.03 132.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.71 -51.82 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.653 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 68.4 p -40.14 -53.28 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.8 m -64.3 -52.5 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 5.6 tmm_? -64.11 -71.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -40.06 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.653 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.4 mt -66.35 -51.94 52.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.32 -45.54 66.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.34 -30.78 61.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.92 -47.41 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 -47.75 68.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.614 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.16 -51.09 67.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.1 pt20 -60.84 -32.68 72.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.46 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.5 -12.78 60.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.639 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.02 -49.58 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.75 53.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.639 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.1 m-30 -75.67 160.64 29.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.92 -63.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' CD ' ' A' ' 8' ' ' LYS . 2.6 tp60 -138.06 111.21 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.554 ' CG2' HD13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -84.71 133.14 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.574 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.08 112.45 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.569 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -96.8 151.03 20.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.63 -177.94 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -57.27 19.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.616 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.19 168.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.44 -112.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.6 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -52.2 -52.37 52.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.616 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.7 -29.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.865 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.83 -45.62 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -55.24 -50.62 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.1 mtmt -56.69 -37.61 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -43.48 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.5 mmm -67.42 -33.86 76.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.7 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -64.56 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.11 -175.85 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 142.63 28.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.721 ' HE2' ' N ' ' A' ' 79' ' ' THR . 4.5 p-80 -139.14 143.83 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -138.0 -37.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -142.96 114.79 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.3 t -98.19 137.03 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.59 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -138.39 119.01 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -142.61 -175.48 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 30.0 p-10 -84.14 165.92 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -82.23 -13.88 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 2.5 m-20 -44.97 175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.565 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.3 ptt? -108.79 67.92 0.34 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.09 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HD3' ' CD ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -60.63 -31.16 70.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.432 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 5.1 mtp -152.11 121.84 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.2 t0 -123.64 170.71 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.32 -37.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.57 -64.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.56 -40.36 97.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.2 mp -55.81 -47.65 76.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.587 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -56.21 -69.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' N ' HD23 ' A' ' 70' ' ' LEU . 21.2 mt-30 -43.94 -32.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.79 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.52 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 18.3 mmm-85 -37.96 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.82 -52.2 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -97.68 123.69 51.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.492 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.0 -14.26 21.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.53 80.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.721 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.08 -23.09 22.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -58.03 -18.55 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -1.73 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.59 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.6 147.48 25.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -91.02 172.22 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.736 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.86 135.35 18.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.516 ' CD1' ' CG2' ' A' ' 56' ' ' ILE . 22.5 mt -110.46 132.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.51 108.63 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.211 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.06 162.38 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.573 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -137.47 174.6 10.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.64 -15.18 10.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -117.33 -86.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 157.79 136.09 2.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.084 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.599 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 65.1 m-20 -140.94 79.2 1.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -58.68 -37.61 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.51 97.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.21 -48.64 79.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.548 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.1 t -62.85 -58.93 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -27.25 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 23.0 mttt -69.63 -48.66 59.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.47 ' O ' HD11 ' A' ' 70' ' ' LEU . . . -57.01 -51.73 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' CA ' HG12 ' A' ' 107' ' ' VAL . . . -54.05 -49.37 69.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.6 88.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -40.12 -53.06 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.503 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 150.01 39.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.428 ' N ' HD11 ' A' ' 70' ' ' LEU . . . -94.23 157.51 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.85 -48.78 52.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.88 115.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.363 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.736 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -125.77 129.45 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 120' ' ' ALA . 1.9 mm? -122.12 148.11 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.548 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -105.66 172.11 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -137.95 62.8 35.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 19.64 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.86 96.17 4.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -27.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -63.49 -41.08 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.0 tptt -74.96 -57.83 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 121' ' ' ILE . 8.7 tmm? -55.25 -54.68 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.1 tmtt? -56.38 -58.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.213 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.63 -36.34 66.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.52 ' CB ' HD11 ' A' ' 108' ' ' LEU . . . -57.79 -56.18 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.78 -41.28 79.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.5 -19.67 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.42 -48.15 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.483 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.74 -36.25 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 124' ' ' VAL . 44.2 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ptm . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.53 0.205 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.81 -38.85 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -142.14 -166.69 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' A' ' 32' ' ' LYS . . . -53.29 -21.11 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' ALA . 20.3 tt0 -36.09 -50.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.191 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -54.31 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.508 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 mp -79.09 131.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.67 140.15 22.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.29 138.79 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.65 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -120.56 120.29 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.592 HD12 ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.96 89.8 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.683 HG21 ' C ' ' A' ' 37' ' ' ALA . 5.0 p -124.41 137.41 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -148.19 170.95 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.9 t0 -78.73 -11.03 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 136.29 19.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.89 -51.5 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.663 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 70.0 p -39.91 -53.03 2.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -63.76 -53.77 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.561 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.3 tmm_? -63.94 -71.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.16 -31.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.663 ' CG ' ' O ' ' A' ' 17' ' ' THR . 7.8 mt -65.87 -51.86 55.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.581 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -70.59 -46.31 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.581 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.08 -30.99 61.26 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 11.0 m-20 -75.08 -49.81 18.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.8 83.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.58 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -55.77 -48.79 74.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -59.71 -31.86 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.628 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 9.9 tt0 -73.93 -11.52 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.0 -48.5 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 119.82 61.57 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.695 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 3.3 p90 -76.72 171.51 14.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 3.9 tptt -85.06 -63.18 1.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.539 ' O ' HG21 ' A' ' 9' ' ' VAL . 1.8 tt0 -143.24 97.36 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.695 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -72.39 139.66 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.566 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -141.42 115.41 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.561 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.68 147.81 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.76 -176.97 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.59 -57.44 17.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.618 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.72 168.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.608 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.2 pt-20 -51.43 -52.78 43.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.618 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.54 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.54 -44.89 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.589 1.181 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.469 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -55.29 -50.44 69.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -56.36 -37.77 70.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -44.74 90.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 58.4 mmm -67.44 -32.06 72.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.47 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.19 -62.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.54 -177.75 1.0 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.689 ' HE2' ' N ' ' A' ' 79' ' ' THR . 2.4 p-80 -136.59 147.43 46.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -140.37 -40.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.566 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 9.6 tp -140.1 111.86 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.8 t -96.68 135.8 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.71 120.43 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.76 -175.31 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' N ' ' OG ' ' A' ' 57' ' ' SER . 32.2 p-10 -86.72 167.55 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.629 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -82.52 -14.63 54.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.762 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 55.9 m-20 -43.71 174.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -108.35 67.53 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.762 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -74.91 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.34 -32.04 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.423 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 16.1 mtp -151.32 122.74 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -125.23 171.74 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.17 -37.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.74 -39.82 97.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.4 mp -56.24 -47.44 78.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.471 0.748 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.569 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -56.69 -69.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.443 ' N ' HD23 ' A' ' 70' ' ' LEU . 26.4 mt-30 -43.8 -32.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.96 68.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.04 -51.11 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 11.7 mmm180 -37.66 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.74 -49.99 7.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -100.21 123.09 48.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.499 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.1 -16.3 20.05 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -47.03 86.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.689 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -88.84 -23.55 22.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -60.04 -19.7 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -98.47 -6.68 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.5 155.11 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -98.08 172.06 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.2 136.27 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.517 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.5 mt -111.67 132.56 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.502 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.56 109.36 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.07 167.58 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.629 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -138.47 174.75 10.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 110.445 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -57.85 -16.06 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -118.71 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.47 135.59 1.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 53.8 m-20 -140.94 78.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -60.9 -37.13 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 3.4 mm? -67.6 -47.93 68.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.522 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -62.52 -59.99 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -27.51 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -69.05 -48.83 61.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.461 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -56.83 -51.55 68.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.502 ' CA ' HG11 ' A' ' 107' ' ' VAL . . . -54.91 -48.63 72.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.86 92.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.623 HD21 ' N ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -41.07 -52.81 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.508 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 150.02 39.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.04 157.72 15.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 0.736 . . . . 0.0 109.353 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.9 t30 -70.49 -49.04 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.72 115.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.779 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.8 p -125.7 128.64 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.0 mm? -121.63 148.16 44.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -103.11 171.69 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.91 62.32 39.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.03 -160.45 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -94.01 19.14 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -120.1 96.95 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.29 -27.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -63.81 -40.85 97.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 120' ' ' ALA . 3.1 tppt? -75.44 -57.68 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -54.96 -54.23 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 20.4 tttt -57.3 -58.43 8.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -34.99 66.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.54 -56.79 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.492 HG21 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.99 -42.42 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.01 -19.32 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -88.75 -49.06 7.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.622 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -61.47 -29.73 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.622 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 15.9 m-30 -91.89 -14.08 30.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -140.6 -80.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -77.2 99.14 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.446 ' N ' HD21 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -61.1 -71.11 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.45 0.167 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -82.24 -43.55 17.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -145.89 -166.7 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 33' ' ' GLN . . . -53.62 -20.25 4.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -38.73 -47.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -80.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -67.16 129.03 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.99 136.57 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.61 138.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.604 ' CB ' ' HG3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -117.3 119.69 35.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -115.35 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.3 p -125.4 135.97 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.69 171.67 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.82 -10.76 59.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -148.04 134.0 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.45 -51.56 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.665 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 62.2 p -40.4 -53.26 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -64.38 -52.18 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.0 tmm_? -63.73 -71.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.3 mt -67.02 -51.01 60.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 2.9 pp -69.89 -44.02 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.58 -31.61 63.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.78 -47.7 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -48.26 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 1.8 mm? -55.19 -53.12 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.673 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 10.6 pt20 -57.83 -31.6 66.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.0 tt0 -77.31 -11.74 59.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -84.09 -49.85 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 149.11 49.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.37 1.044 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.673 ' CD1' ' HA ' ' A' ' 27' ' ' GLN . 4.3 p90 -70.99 137.67 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 4.5 mptt -84.77 -49.73 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 4' ' ' ALA . 36.3 tp60 -145.37 96.81 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.619 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.72 133.13 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.594 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.86 113.6 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -96.16 148.43 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -134.19 -177.9 4.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.16 -57.18 20.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.616 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.03 168.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.6 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.25 -111.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.537 1.148 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.6 pt-20 -52.32 -52.45 53.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.616 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.05 -45.25 1.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.464 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -55.4 -50.42 69.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.95 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.75 -44.08 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.604 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.56 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.13 79.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.63 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.39 -175.07 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.9 140.68 26.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -131.74 137.49 48.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 0.0 109.621 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -132.81 -39.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 11.6 tp -146.2 112.77 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.1 t -95.65 135.07 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.31 119.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -141.38 -175.16 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' N ' ' OG ' ' A' ' 57' ' ' SER . 14.1 p-10 -86.86 164.85 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.237 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.595 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -81.54 -14.41 56.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 65.8 m-20 -45.77 176.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.57 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.1 ptp -108.07 68.13 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.01 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.67 -30.36 69.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.451 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 4.1 mtt -152.15 122.19 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.9 t70 -124.11 171.76 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.75 -37.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.37 -64.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.91 -39.92 97.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.05 -48.16 76.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.1 tt -57.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.45 ' N ' HD21 ' A' ' 70' ' ' LEU . 17.2 mt-30 -42.86 -32.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.19 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.45 66.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.66 -51.21 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 13.7 mmm180 -37.83 -30.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.54 -51.05 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -99.82 124.42 44.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -14.46 21.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.535 ' HB1' ' HE2' ' A' ' 52' ' ' HIS . . . -63.93 -47.45 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -88.58 -23.08 23.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -59.19 -19.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 -3.03 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.19 155.43 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -97.39 171.62 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.714 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -151.07 134.93 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.543 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.3 mt -109.55 130.05 63.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.551 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -128.08 108.4 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -128.32 166.01 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -139.83 174.57 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.79 -13.9 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -115.71 -87.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.12 133.9 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 34.9 m-20 -141.13 78.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD3' ' CD ' ' A' ' 116' ' ' LYS . 54.9 mtm180 -57.59 -37.9 73.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.83 92.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -60.07 -48.08 83.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.517 ' CG2' ' HB3' ' A' ' 109' ' ' ALA . 1.2 t -65.24 -61.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -28.42 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 1.7 mttm -69.16 -48.99 60.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.471 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.66 -53.45 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.473 ' CA ' HG12 ' A' ' 107' ' ' VAL . . . -53.67 -48.66 69.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.75 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -40.61 -53.41 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.513 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 152.64 39.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -94.24 157.67 15.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 5.2 t-20 -70.55 -50.9 32.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.518 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 9.2 m-80 -164.95 115.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.714 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -127.33 130.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.522 ' CD2' ' HB ' ' A' ' 124' ' ' VAL . 2.4 mm? -124.13 147.9 47.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.517 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . . . -104.0 172.03 7.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -136.63 63.73 48.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.452 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.06 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -92.47 19.55 7.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -121.48 96.9 5.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -26.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 32.1 tt0 -64.29 -40.17 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.176 . . . . 0.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -75.27 -57.92 3.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.3 ttt -55.51 -53.04 61.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 9.1 ttpt -58.11 -58.88 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -35.67 67.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -55.6 -55.47 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -56.85 -42.5 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.18 -20.51 18.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 127' ' ' ALA . . . -88.87 -45.81 9.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.622 HG12 ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -62.55 -29.93 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.622 ' CD1' HG12 ' A' ' 124' ' ' VAL . 16.1 m-30 -91.07 5.92 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.45 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 123' ' ' ALA . . . -74.79 -167.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -85.87 -78.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 129' ' ' LYS . 15.1 pttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG2' ' HB2' ' A' ' 6' ' ' LYS . 36.4 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.542 0.21 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -83.54 -40.71 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -144.21 -165.84 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 7' ' ' ILE . . . -54.07 -20.9 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.0 tm-20 -36.06 -45.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -36.43 -36.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 4' ' ' ALA . 4.1 mp -78.25 137.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.62 138.59 21.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.69 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.78 134.89 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.65 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.46 119.7 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.43 90.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.659 HG21 ' C ' ' A' ' 37' ' ' ALA . 5.2 p -124.59 138.41 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -149.35 170.92 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.587 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -74.1 -21.43 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 138.07 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -52.15 -52.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.646 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 77.0 p -38.42 -52.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 m -64.19 -52.84 56.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.563 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.29 -31.86 0.09 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.0 mt -66.84 -51.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -70.64 -45.16 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.71 -31.7 60.94 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -75.33 -48.13 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -48.23 69.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.658 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.4 mm? -54.72 -52.79 61.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 7.3 pt20 -59.95 -32.38 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -77.67 -11.68 59.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.661 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.66 -49.94 10.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.2 50.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.69 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.4 m-30 -76.89 158.82 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -80.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 tt0 -137.32 111.47 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -83.94 133.3 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.511 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.73 113.2 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.98 150.45 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.888 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.3 -177.74 4.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.28 -56.97 21.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.63 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.32 168.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.81 -110.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.589 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.38 -53.27 38.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.286 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.63 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.1 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.888 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.79 -45.85 1.08 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.445 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -54.64 -50.66 67.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 11.2 mtmt -56.75 -37.31 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -59.1 -43.73 89.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.0 mmm -67.55 -33.29 74.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 111.046 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.37 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.09 -63.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.603 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.26 -176.48 0.71 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.75 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -136.4 144.52 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -137.21 -38.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -145.21 119.59 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.0 t -99.25 139.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.617 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.13 119.32 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -143.23 -175.71 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.4 t0 -89.39 172.25 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.698 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.5 -14.77 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 18.7 p-10 -42.21 172.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.539 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.03 68.74 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.99 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -63.13 -31.79 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 14.4 mtp -148.1 117.08 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 67' ' ' LEU . 37.4 t0 -118.43 171.92 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.63 -39.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.633 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.86 -63.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.4 -41.28 98.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.1 mp -56.14 -47.59 77.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.598 HD13 ' N ' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -58.24 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' N ' HD21 ' A' ' 70' ' ' LEU . 14.2 mt-30 -43.81 -31.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.0 69.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.88 -51.15 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 13.4 mmm180 -38.12 -30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.24 -53.32 5.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -95.18 123.71 56.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.0 -13.57 21.37 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.75 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -65.98 -46.22 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -90.43 -22.44 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.368 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.492 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -56.61 -23.3 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 0.93 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.62 145.54 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 106' ' ' ASN . . . -90.11 172.09 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.736 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.6 138.65 23.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.581 ' CG1' HG21 ' A' ' 56' ' ' ILE . 11.4 mm -110.55 131.81 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.698 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 6.9 mm -128.25 109.73 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.64 168.72 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.641 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -140.84 174.86 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.445 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.467 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.78 -16.43 16.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -123.21 -86.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.42 134.73 1.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 21.8 m-20 -140.05 78.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -59.76 -33.45 71.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -57.63 -50.27 73.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.529 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -61.96 -58.8 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -28.91 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.514 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.34 -51.24 54.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.434 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -52.81 -50.86 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.04 70.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.21 -48.83 66.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.4 mm? -39.41 -44.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.559 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.08 44.39 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.598 ' N ' HD13 ' A' ' 70' ' ' LEU . . . -95.12 158.17 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.24 -48.83 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.508 ' OD1' ' CA ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -166.43 116.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.736 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 9.8 p -128.9 127.28 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 85' ' ' ILE . 2.4 mm? -122.34 148.21 45.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.529 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -105.08 172.5 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -132.42 64.33 71.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.99 -160.1 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.04 19.89 12.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.073 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.67 96.42 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.408 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.81 -27.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 9.7 mt-10 -64.16 -41.19 97.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.33 -57.53 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.521 ' O ' HG21 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -55.15 -54.77 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 ttmm -56.49 -58.56 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.61 -35.36 65.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.517 ' HB1' ' CG ' ' A' ' 108' ' ' LEU . . . -59.42 -56.08 26.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.23 -42.01 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.75 -20.39 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.501 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -87.89 -48.82 7.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.56 -32.45 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.606 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.5 m-30 -88.8 -11.48 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -142.77 -80.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 123' ' ' ALA . . . -76.94 99.13 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.508 ' CA ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -63.57 -72.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mtm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.532 0.206 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.36 -40.28 23.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.64 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -147.59 -166.0 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 7' ' ' ILE . . . -55.63 -21.25 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -34.82 -51.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' GLU . 2.1 tptt -38.78 -36.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' ALA . 4.1 mp -71.09 142.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -151.23 141.78 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.598 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.05 137.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.619 ' CB ' ' HG3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -118.96 119.18 33.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.591 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.61 90.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.703 HG23 ' C ' ' A' ' 37' ' ' ALA . 4.5 p -125.46 137.17 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.82 171.21 16.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -78.63 -17.52 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.34 134.02 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.04 -52.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.673 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 59.5 p -39.69 -52.03 2.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.16 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.4 m -64.07 -53.97 41.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.9 tmm_? -63.75 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -40.25 -30.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.673 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.1 mt -67.0 -51.87 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 3.2 pp -69.75 -46.2 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.586 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.3 -31.7 62.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 17.6 m-20 -74.74 -49.07 22.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.43 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.586 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -56.13 -48.47 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.35 -31.66 70.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.617 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 5.4 tt0 -73.6 -10.98 60.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.75 -47.94 9.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.75 61.07 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.715 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 3.6 p90 -76.19 172.85 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -86.02 -63.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.5 tt0 -143.15 97.33 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.715 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -73.01 140.54 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.557 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -141.66 116.2 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.436 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.65 146.74 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.884 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -132.01 -177.07 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -57.27 17.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.619 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 179.22 168.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 0.787 . . . . 0.0 109.351 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.18 -112.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.2 pt-20 -50.58 -52.43 39.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.619 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.09 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.884 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.61 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -57.08 -36.15 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.64 -44.91 94.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.619 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.03 -32.92 74.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.43 77.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.69 -63.83 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.624 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.37 29.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.837 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -136.44 145.3 45.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.665 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -141.13 -40.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 1.4 tp -141.05 111.42 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.0 t -96.11 136.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.618 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -138.37 120.11 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.0 t -142.09 -175.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.937 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.9 p-10 -86.14 163.13 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -80.07 -14.61 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.75 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 75.9 m-20 -46.03 176.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.581 ' O ' ' CG ' ' A' ' 61' ' ' MET . 2.8 ptt? -108.4 68.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.75 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.1 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.552 1.817 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.12 -30.92 70.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.441 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 18.2 mtp -150.94 119.84 6.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.8 t0 -120.13 172.46 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.79 -37.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.616 1.198 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.32 -63.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.86 -41.88 99.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -48.79 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -57.31 -69.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 70' ' ' LEU . 20.4 mt-30 -42.7 -31.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.96 -50.39 66.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.063 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.64 -50.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.514 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 22.4 mmm-85 -38.01 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 110.197 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.83 -53.38 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.95 123.95 55.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -11.8 21.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.599 1.841 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.837 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -67.22 -45.92 75.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.611 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -90.7 -22.47 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -57.81 -20.63 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.14 3.79 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.24 154.63 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.434 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -96.0 170.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.707 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.3 134.49 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.3 mt -109.13 130.31 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.561 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.64 106.87 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.611 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.65 162.39 28.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.592 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -134.71 174.47 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.62 -15.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.94 -85.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.35 136.23 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.618 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 76.2 m-20 -141.28 77.88 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -57.29 -36.34 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -65.09 -39.97 93.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.59 -49.48 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.54 HG21 ' CB ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.34 -60.08 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 25.0 mttt -67.52 -49.6 62.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.501 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -54.14 -51.92 62.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.41 67.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.73 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 3.0 mm? -40.29 -45.92 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.536 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.79 46.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.406 1.066 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.594 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.83 157.98 15.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.8 t-20 -71.11 -49.58 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.34 115.44 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.7 p -127.25 129.94 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.49 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 1.8 mm? -122.7 146.78 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.54 ' CB ' HG21 ' A' ' 96' ' ' VAL . . . -104.19 171.74 7.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.2 OUTLIER -138.28 62.69 32.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.507 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -160.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.26 19.13 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -120.6 95.62 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.93 -26.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 8.1 tt0 -64.33 -41.2 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -75.04 -57.93 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.51 ' O ' HG21 ' A' ' 121' ' ' ILE . 9.6 tmm? -54.84 -53.91 49.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.3 ttmm -57.52 -58.47 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.99 -35.37 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 116' ' ' LYS . . . -56.55 -56.77 17.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.51 HG21 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.15 -42.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.83 -20.77 16.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -86.74 -49.29 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.629 HG11 ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.6 -30.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.629 ' CD1' HG11 ' A' ' 124' ' ' VAL . 15.9 m-30 -91.55 -18.57 23.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -134.57 -81.66 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.467 1.104 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -76.84 99.79 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.726 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -56.08 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' CB ' ' HB2' ' A' ' 6' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.499 0.19 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -82.12 -35.36 28.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -140.75 -165.75 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 7' ' ' ILE . . . -53.87 -21.03 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' ALA . 16.7 tt0 -36.54 -48.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 9.2 tttt -40.6 -39.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 4' ' ' ALA . 4.4 mp -68.53 144.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.23 142.21 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -124.96 137.25 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' CB ' ' HG3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -118.72 119.28 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.592 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.18 89.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.4 p -125.32 136.8 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.67 171.42 15.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -13.94 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -146.65 135.89 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.86 -52.01 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.665 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 10.9 p -39.45 -53.54 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -63.61 -53.35 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.0 tmm_? -64.01 -71.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.75 -30.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.3 mt -67.1 -52.04 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.74 -46.11 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.596 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.75 -30.92 63.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.3 m-20 -74.88 -48.91 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.94 78.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.586 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.1 mm? -55.4 -47.31 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.619 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.3 pt20 -61.74 -31.44 71.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.619 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -74.39 -11.65 60.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' CD2' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -84.37 -49.0 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.193 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.71 61.14 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.688 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 p90 -76.42 171.38 14.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.59 -62.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.536 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.52 96.05 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.688 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -72.83 140.99 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.565 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -142.25 116.48 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.63 148.76 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.874 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.09 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.1 -57.55 16.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.624 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.58 168.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 0.802 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.98 -111.6 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.7 pt-20 -51.65 -52.68 46.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.624 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -38.15 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.874 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.39 -45.49 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 44' ' ' MET . 1.3 tpt -55.55 -50.91 68.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.8 mtmt -56.12 -36.21 67.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.9 -44.9 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.606 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.33 -32.59 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.11 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -64.62 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.226 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.636 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.15 -175.01 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.92 141.63 27.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.559 1.821 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.84 ' HE2' ' N ' ' A' ' 79' ' ' THR . 5.0 p-80 -135.67 142.93 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -139.35 -42.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.632 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 4.2 tp -138.5 112.31 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 4.0 t -97.61 136.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.606 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.48 119.91 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -142.62 -175.03 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.1 p30 -90.37 171.3 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.85 -14.34 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.781 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 19.7 m-80 -41.38 172.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.54 ' O ' ' CG ' ' A' ' 61' ' ' MET . 2.6 ptt? -108.38 66.61 0.29 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.781 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.0 -159.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.42 1.747 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.89 -31.12 72.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.407 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 15.7 mtt -151.73 124.4 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 67' ' ' LEU . 16.7 t70 -127.14 172.69 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.16 -38.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.6 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.5 -40.28 97.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 2.0 mp -56.13 -48.56 75.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.554 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.2 tt -57.95 -70.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' HD23 ' A' ' 70' ' ' LEU . 16.7 mt-30 -43.88 -31.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.358 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.68 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.99 -49.99 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 12.3 mmm180 -37.59 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.1 -50.71 8.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.2 m-20 -100.38 124.34 43.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.503 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.97 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' C ' ' HE2' ' A' ' 52' ' ' HIS . . . -62.57 -46.63 87.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.84 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.38 -23.13 22.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.503 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.34 -18.69 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -5.26 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.66 154.43 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.84 171.03 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.803 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.45 135.39 18.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.539 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 7.0 mt -108.62 132.97 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.694 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 12.8 mm -126.97 109.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.399 1.062 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.02 164.55 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.573 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -139.3 174.64 10.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.59 -15.57 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.63 -88.86 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.09 133.53 1.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 50.9 m-20 -141.11 79.08 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -41.24 87.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.47 91.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -59.86 -48.8 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.558 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -63.72 -61.57 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -28.09 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.639 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 12.2 mttm -69.16 -52.06 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.567 ' HA ' ' HG ' ' A' ' 102' ' ' LEU . . . -50.88 -56.39 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.523 ' CB ' ' CG1' ' A' ' 107' ' ' VAL . . . -56.25 -36.48 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.19 49.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -39.64 -57.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' N ' HD13 ' A' ' 70' ' ' LEU . . . 163.16 43.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.54 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -95.54 154.65 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.18 -49.71 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -165.99 114.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.803 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.4 p -126.95 129.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.526 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.3 mm? -121.89 150.57 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.558 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -110.6 172.01 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -133.37 66.1 73.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.404 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.94 -160.54 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -93.2 19.96 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -123.13 96.25 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.35 -26.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 7.1 tt0 -64.74 -40.9 96.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -75.53 -57.07 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.482 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.4 tmm? -55.56 -53.94 50.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 3.7 tttp -57.57 -58.27 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -36.11 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.526 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -55.89 -54.99 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.402 1.064 . . . . 0.0 109.222 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.96 -43.0 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -55.74 -20.23 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.18 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 127' ' ' ALA . . . -89.58 -40.82 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.64 -30.58 50.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 121' ' ' ILE . 52.0 m-85 -91.96 -41.14 10.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -92.16 -49.91 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 123' ' ' ALA . . . -76.71 99.23 5.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -58.46 -67.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.587 0.232 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -82.02 -38.46 24.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -142.47 -166.83 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -53.13 -21.64 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -33.87 -49.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.553 ' HZ2' ' HE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -52.17 -56.91 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mp -76.19 133.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.29 133.6 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.704 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -121.96 133.57 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -113.1 119.4 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -114.27 89.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.643 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.0 p -126.18 138.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.09 171.18 16.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.43 -9.05 58.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 134.57 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.9 -52.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.65 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 78.1 p -39.47 -52.81 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.617 1.198 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -64.54 -52.25 58.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.069 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.4 -31.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.6 mt -67.39 -51.5 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -69.99 -44.65 68.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.64 -32.07 61.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.7 m-20 -75.58 -46.52 31.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -48.09 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.668 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.6 mm? -55.84 -53.26 58.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 8.0 pt20 -58.83 -33.29 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.9 tt0 -77.84 -12.29 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.652 HD22 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.36 -49.88 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.15 49.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.704 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.4 m-30 -76.13 159.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 7' ' ' ILE . 5.7 mmtt -81.61 -63.96 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -137.19 110.12 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG22 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.1 132.99 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.529 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.8 113.5 9.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.566 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 153.9 17.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.02 -178.12 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.59 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.644 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.86 167.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.38 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 13.41 -108.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.61 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.9 pt-20 -50.57 -53.34 31.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 110.297 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -39.12 -27.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.53 -43.12 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.511 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.61 -50.38 70.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.03 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' MET . 17.3 mtpt -56.97 -37.0 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.408 HG23 ' ND2' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.09 -43.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.626 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 6.5 mmt -68.89 -33.35 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.97 80.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.2 -62.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -176.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 141.69 26.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.825 ' HE2' ' N ' ' A' ' 79' ' ' THR . 4.7 p-80 -134.6 142.01 46.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.561 1.163 . . . . 0.0 109.554 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.553 ' HE2' ' HZ2' ' A' ' 6' ' ' LYS . 10.5 t-80 -134.55 -37.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -149.23 119.72 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.7 t -98.16 140.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.612 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.18 118.88 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.552 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.13 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' N ' ' OG ' ' A' ' 57' ' ' SER . 13.3 t70 -91.86 171.93 8.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -80.46 -16.39 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.739 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m120 -40.56 170.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.544 ' O ' ' CG ' ' A' ' 61' ' ' MET . 1.1 ptp -109.28 68.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.99 -160.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.36 -32.13 70.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.377 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.9 mtt -148.6 117.94 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.6 t70 -118.97 171.92 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.91 -39.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.5 mm? -72.87 -63.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.03 -42.03 98.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.579 1.175 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -47.94 75.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -57.41 -68.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' HD22 ' A' ' 70' ' ' LEU . 14.5 mt-30 -43.43 -32.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 68' ' ' GLY . . . -63.14 -51.31 66.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 74' ' ' ARG . 0.9 OUTLIER -57.82 -51.76 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.526 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 14.3 mmm180 -38.22 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.04 -50.61 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -99.86 124.61 43.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.01 -15.44 20.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.501 ' C ' ' HE2' ' A' ' 52' ' ' HIS . . . -64.55 -45.2 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.825 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -90.92 -22.81 20.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.515 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -57.31 -21.62 36.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 -1.29 35.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 152.72 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.18 172.1 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.739 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.29 137.13 21.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.567 ' CG1' HG22 ' A' ' 56' ' ' ILE . 8.3 mm -110.95 130.3 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.54 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 1.1 mm -129.35 108.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.2 171.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.691 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 1.6 t -142.22 174.37 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.69 -15.97 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.88 -86.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.51 135.97 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.172 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.601 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 38.3 m-20 -140.2 78.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.454 ' CD ' ' HE3' ' A' ' 116' ' ' LYS . 1.1 mtm105 -60.2 -36.52 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -64.91 -39.89 94.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.644 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.79 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.525 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -64.92 -59.11 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.91 -30.13 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 7.8 mttm -68.0 -50.66 54.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -53.46 -50.18 65.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.67 72.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.11 -49.11 66.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.2 mm? -39.55 -46.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.21 46.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.45 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 37.3 t30 -71.38 -49.45 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.02 115.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.739 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 10.9 p -129.44 127.04 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.7 mm? -122.93 146.73 47.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.7 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.065 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.501 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -132.91 65.78 74.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.512 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.99 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.29 19.27 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.512 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -120.77 93.67 4.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.16 -29.41 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.9 tm-20 -63.61 -41.24 98.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -75.4 -58.03 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.501 ' HG3' ' CG ' ' A' ' 110' ' ' LYS . 1.7 ttp -54.61 -54.36 42.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 6.9 ttmt -56.92 -57.95 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.45 -35.16 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.557 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.29 -56.2 25.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -58.42 -42.44 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -56.04 -20.44 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -88.42 -48.58 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.72 -31.5 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.612 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 -88.81 -11.49 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.28 -80.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.552 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -77.53 100.23 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -56.64 -70.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' CB ' ' HB3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -84.4 -14.05 50.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pp -109.4 -167.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 7' ' ' ILE . . . -52.44 -21.39 3.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -39.7 -53.25 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -57.1 -49.05 77.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 2.6 mp -68.04 131.18 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.7 138.7 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.613 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.64 132.78 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.652 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -113.2 120.96 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -115.97 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' C ' ' A' ' 37' ' ' ALA . 5.1 p -124.84 138.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -147.07 172.04 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.89 -16.73 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.07 -51.83 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.648 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 61.6 p -40.5 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 m -63.86 -52.44 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.681 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.0 tmm_? -64.75 -72.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.56 -31.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CG ' ' O ' ' A' ' 17' ' ' THR . 10.5 mt -68.58 -51.4 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 11' ' ' ILE . 4.3 pp -70.5 -48.14 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -53.73 -32.78 47.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.2 m-20 -75.64 -46.78 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.1 mm? -55.29 -52.62 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 8.2 pt20 -59.03 -32.63 69.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.487 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 tm0? -77.57 -11.76 59.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD22 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.59 -49.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.467 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.7 49.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.623 ' CE1' HD22 ' A' ' 29' ' ' LEU . 1.4 m-30 -77.35 158.96 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -80.87 -64.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -136.34 112.13 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CG2' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -85.11 134.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.551 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -138.05 112.59 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -96.5 151.73 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -139.01 -178.06 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.29 -56.68 22.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.633 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.61 169.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.28 -111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.0 pt-20 -51.91 -52.74 47.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.756 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.633 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -37.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.13 -45.49 1.09 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.616 1.197 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.443 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.1 tpt -55.27 -50.77 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 0.824 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 41' ' ' GLU . 6.7 mmmt -56.39 -37.63 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 59.4 mmm -66.94 -33.43 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.81 82.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.73 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.2 -176.11 0.66 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 142.88 28.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.753 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.545 ' CB ' ' CE ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -137.83 143.77 41.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -137.01 -38.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -144.37 115.37 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.6 t -97.33 136.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -138.8 119.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -143.01 -175.58 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' N ' ' OG ' ' A' ' 57' ' ' SER . 38.7 p-10 -84.88 168.99 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.614 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -83.02 -14.87 53.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.756 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 30.4 m-80 -42.48 172.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 61' ' ' MET . 1.7 ptt? -108.58 67.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.756 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.98 -159.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.813 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.89 -31.21 70.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.43 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 25.9 mtp -152.35 122.78 7.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' LEU . 14.3 t70 -125.29 170.94 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.64 -38.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.66 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.73 -40.46 98.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.2 mp -55.16 -47.86 74.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.59 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.25 -69.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' N ' HD23 ' A' ' 70' ' ' LEU . 22.1 mt-30 -44.19 -32.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.95 -49.68 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.58 -51.03 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.52 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 20.2 mmm-85 -38.23 -30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.66 -49.44 9.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -101.9 123.17 44.73 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.484 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -12.35 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.53 72.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -22.88 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.516 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -57.69 -19.16 25.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.51 -5.71 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.55 153.61 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.796 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.0 134.78 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 5.8 mt -112.59 133.13 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -125.14 109.75 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -119.76 161.96 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.614 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -136.74 174.72 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.13 -15.0 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -122.99 -88.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 92' ' ' ASP . . . 168.05 135.23 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 31.2 m-20 -140.28 78.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -59.92 -36.17 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -65.81 -40.3 91.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.08 -49.81 76.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.553 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.34 -59.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.05 -27.75 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -69.26 -48.98 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.461 ' CA ' HG11 ' A' ' 107' ' ' VAL . . . -54.51 -48.27 72.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.7 91.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.595 ' N ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -41.79 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.497 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 150.9 39.24 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -94.53 157.37 16.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 62.7 t30 -70.83 -49.22 48.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 72.6 m-80 -165.09 117.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.796 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.2 p -127.9 128.51 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.535 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.2 mm? -120.9 147.12 45.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.553 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.92 172.03 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -134.68 65.1 65.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.577 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.96 -160.4 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.21 20.73 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.577 HG23 ' HG2' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -124.08 95.73 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.03 -26.55 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 5.4 mt-10 -63.1 -42.2 99.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.9 OUTLIER -75.66 -57.14 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 121' ' ' ILE . 11.3 tmm? -54.77 -53.92 48.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 ttmt -57.92 -58.65 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.42 -35.05 64.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.535 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.11 -55.4 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.16 -42.02 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -56.17 -20.03 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -88.39 -48.79 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.234 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.3 -32.03 49.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.599 ' CD1' HG13 ' A' ' 124' ' ' VAL . 16.4 m-30 -88.46 -11.01 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.19 -80.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -78.39 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -53.33 -64.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 tttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CB ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.478 0.18 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.75 -43.05 15.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' A' ' 5' ' ' GLU . 1.3 pp -147.29 -165.9 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' O ' ' CD1' ' A' ' 7' ' ' ILE . . . -53.9 -20.5 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 4' ' ' ALA . 10.3 tt0 -33.67 -41.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -35.92 -34.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 4' ' ' ALA . 3.5 mp -81.1 136.03 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.69 139.89 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.53 134.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.654 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.46 122.73 46.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -117.91 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.689 HG21 ' C ' ' A' ' 37' ' ' ALA . 5.5 p -125.01 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.97 171.82 14.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.5 t0 -77.8 -17.39 57.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 135.07 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.74 -51.94 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.656 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 59.6 p -39.66 -53.24 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 m -63.78 -52.83 58.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.1 tmm_? -64.35 -71.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.617 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.66 -30.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.656 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.6 mt -67.67 -52.28 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.33 -46.16 64.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.589 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.23 -30.9 61.65 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 14.1 m-20 -75.4 -47.19 28.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -47.36 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.596 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 1.5 mm? -55.78 -51.03 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 11.9 pt20 -61.36 -32.72 72.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 11.0 tp60 -77.04 -11.61 59.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.617 HD23 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.09 -49.1 12.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.46 50.92 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -75.73 162.04 28.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 mptt -80.71 -64.2 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -137.67 112.4 8.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 ' CG2' HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -86.09 133.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.583 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.15 112.89 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.33 150.35 21.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.875 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.38 -177.85 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.27 19.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.63 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.16 168.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.373 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.34 -111.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.595 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.46 -52.71 44.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.63 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.72 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.875 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.61 -45.24 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.453 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 2.2 tpp -55.38 -50.7 69.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.8 mtmt -56.53 -37.27 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -59.09 -44.56 91.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 mmm -66.63 -32.33 73.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.85 81.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -63.89 -63.41 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.601 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.74 -176.44 0.76 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.33 29.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.955 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -138.04 149.01 45.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.574 ' CD2' HD11 ' A' ' 54' ' ' LEU . 10.7 t-160 -141.14 -50.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.89 110.7 11.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.6 t -94.28 135.03 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.621 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -137.11 119.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -141.54 -175.27 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 19.8 p-10 -86.78 163.66 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.638 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -79.81 -14.43 58.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.745 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 52.4 m-20 -45.61 176.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.573 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.41 68.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.745 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.01 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -59.46 -31.93 69.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.2 mtt -148.69 117.25 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 25.2 t0 -117.16 172.67 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.47 -38.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.45 -63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.55 -41.59 98.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.2 mp -55.78 -48.33 75.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.3 tt -57.17 -69.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 1.19 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' HD22 ' A' ' 70' ' ' LEU . 19.0 mt-30 -42.7 -32.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.24 69.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.583 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -58.24 -51.39 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 10.0 mmm180 -38.28 -29.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.23 -53.6 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.47 123.75 57.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.91 -14.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.576 1.829 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.955 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -65.92 -45.27 82.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.603 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -89.88 -22.74 21.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.462 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -59.42 -24.95 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -98.84 -2.52 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.42 153.82 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -94.67 172.14 8.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.728 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.21 133.86 17.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 16.5 mt -109.31 130.25 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.553 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -126.81 106.64 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.638 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -130.01 161.7 30.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.609 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -135.58 174.57 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.13 -13.45 12.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -115.82 -85.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.02 134.02 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.622 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 86.3 m-20 -140.65 77.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -57.03 -34.91 68.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -67.02 -38.97 86.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.58 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.53 -49.15 78.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.563 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.84 -59.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -30.94 8.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.517 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 31.9 mttt -67.17 -50.91 59.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.46 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.37 -50.7 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.39 -44.7 68.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.71 72.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.3 mm? -40.8 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.541 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 137.83 44.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.61 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.74 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.384 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 80' ' ' LYS . 2.3 t30 -71.09 -49.4 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.436 ' OD1' ' CA ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -165.47 115.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.728 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -126.28 129.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.518 HD11 ' CB ' ' A' ' 120' ' ' ALA . 1.8 mm? -122.38 148.74 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.557 ' CB ' HG23 ' A' ' 96' ' ' VAL . . . -107.33 172.79 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -137.76 62.75 36.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.486 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.0 Cg_endo -74.99 -161.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.48 19.26 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.486 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.78 96.25 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.78 -26.81 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 12.3 tt0 -64.04 -40.11 95.58 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -75.29 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.498 ' O ' HG21 ' A' ' 121' ' ' ILE . 2.7 ttt -55.03 -54.43 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.1 ttmt -56.28 -59.13 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.64 -36.22 66.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 108' ' ' LEU . . . -57.42 -56.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.498 HG21 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.37 -41.68 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -56.38 -20.34 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -87.1 -47.71 8.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.463 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.08 -35.64 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -86.5 -8.87 57.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.28 -82.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -77.72 99.57 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.436 ' CA ' ' OD1' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -57.93 -69.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' LEU . 15.5 tttp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HG2' ' CG ' ' A' ' 6' ' ' LYS . 23.8 mmm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.441 0.162 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -82.34 -41.21 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.485 HD11 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -143.81 -165.85 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' N ' HD11 ' A' ' 3' ' ' LEU . . . -52.2 -21.82 3.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 4' ' ' ALA . 27.9 tt0 -33.24 -50.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.467 ' CG ' ' HG2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -49.82 -61.48 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.206 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 1.4 mp -71.27 129.91 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.58 136.99 18.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.676 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -127.04 135.71 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.654 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.86 122.84 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -118.16 90.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.9 p -125.29 137.57 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.41 171.95 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 t70 -78.75 -14.52 59.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.35 133.46 22.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -51.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.655 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 69.9 p -40.28 -52.55 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 m -64.34 -52.63 57.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 6.1 tmm_? -64.46 -71.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.55 -31.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.655 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.0 mt -67.51 -51.84 46.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.44 -45.75 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.232 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.86 -31.09 60.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.0 m-20 -75.6 -47.45 26.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.31 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 2.0 mm? -55.68 -52.34 64.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.7 pt20 -59.19 -32.66 70.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 17.7 tt0 -78.7 -11.45 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.603 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.18 -49.88 12.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.199 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.57 47.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.582 1.176 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.676 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.3 m-30 -76.08 158.8 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -81.64 -64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.495 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 2.1 mm-40 -135.43 114.41 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CG2' HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -87.91 133.69 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.586 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -135.21 113.21 11.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.534 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -98.15 149.18 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.881 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.83 -177.63 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.12 -57.2 19.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.625 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.77 168.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.73 -112.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 22.2 pt-20 -51.74 -52.47 48.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.625 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -29.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.881 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.57 -45.71 1.03 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.44 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.2 tpt -54.98 -50.52 68.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.8 mtmt -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.95 -43.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 22.6 mmt -67.54 -32.77 73.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.49 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.19 -175.88 0.66 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 141.69 27.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.83 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -136.58 144.96 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.486 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 3.0 t-160 -137.07 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.558 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.67 110.86 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 4.5 t -95.44 133.74 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.629 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -135.49 120.33 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.7 t -141.98 -175.08 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 57' ' ' SER . 22.3 p-10 -87.91 164.56 15.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -81.37 -13.93 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.77 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 56.8 m-80 -45.08 176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 61' ' ' MET . 1.6 ptm -107.91 67.57 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.77 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.7 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.2 mtt -149.83 121.85 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.6 t0 -123.98 172.24 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.32 -37.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.59 -64.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.56 -39.21 97.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.5 mp -56.58 -48.39 77.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -57.22 -69.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' N ' HD21 ' A' ' 70' ' ' LEU . 14.5 mt-30 -43.48 -31.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.83 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.42 -51.37 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 8.0 mmm180 -37.76 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.57 -52.06 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -97.86 123.47 51.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -12.95 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.83 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -64.11 -46.24 85.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.59 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -91.79 -22.97 19.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.27 -20.35 41.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -0.78 29.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.73 154.26 19.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -95.15 172.0 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.738 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.91 134.73 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.54 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 17.5 mt -109.43 130.04 63.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.56 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.69 108.48 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -128.25 165.25 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -139.48 174.4 10.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.46 -13.88 16.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -115.52 -86.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.38 135.18 1.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.384 1.053 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.561 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 75.3 m-20 -141.61 79.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -58.76 -36.98 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -65.33 -39.83 92.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.38 -47.44 85.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -65.15 -60.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.76 -27.75 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.507 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 6.8 mttt -69.72 -49.43 53.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.35 -53.66 54.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' CA ' HG13 ' A' ' 107' ' ' VAL . . . -53.85 -48.36 70.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.58 91.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.61 ' N ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.491 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.33 40.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.72 157.21 16.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -70.55 -49.73 44.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 116.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.738 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.4 p -128.05 128.63 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.526 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.0 mm? -122.22 147.56 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.511 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -103.56 171.86 7.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.47 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.4 OUTLIER -138.18 63.79 37.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -90.35 19.41 5.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.382 1.051 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.88 96.87 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -52.14 -26.85 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mt-10 -64.26 -40.85 96.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 120' ' ' ALA . 11.9 tptp -74.79 -58.01 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 121' ' ' ILE . 3.2 ttt -55.25 -54.79 38.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -56.13 -58.32 8.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.21 -36.24 68.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.526 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -57.74 -56.37 22.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.8 -42.09 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.96 -20.08 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -88.55 -47.41 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.479 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.18 -35.35 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -87.07 -10.66 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -142.07 -83.61 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.529 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -77.06 99.6 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.427 ' N ' HD22 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 2' ' ' SER . 5.1 ptm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.438 0.161 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -62.01 -41.53 98.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -144.79 -165.75 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -54.19 -21.99 10.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 4' ' ' ALA . 23.4 tt0 -31.97 -48.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -49.68 -60.23 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 32' ' ' LYS . 2.0 mp -82.15 134.6 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.6 129.07 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -114.6 136.26 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.643 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -116.5 120.02 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.614 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -115.36 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.711 HG23 ' C ' ' A' ' 37' ' ' ALA . 5.0 p -124.75 139.26 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.24 171.18 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -77.78 -16.88 58.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -142.29 134.0 26.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.82 -53.15 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.649 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 73.7 p -38.71 -52.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -63.93 -53.5 49.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 6.2 tmm_? -64.48 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.07 -31.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.649 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.3 mt -67.77 -52.3 38.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.5 pp -70.98 -46.67 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.6 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -58.13 -30.72 64.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.9 m-20 -74.91 -47.76 28.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.35 69.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 31' ' ' PHE . 1.3 mm? -56.52 -52.05 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 7.9 pt20 -59.41 -32.59 70.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 18.7 tp60 -74.5 -14.97 60.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.603 HD21 ' CE2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -74.2 -47.75 33.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.79 52.24 0.3 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.575 1.172 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CE2' HG11 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -75.13 179.28 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.96 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' CB ' ' HB ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -83.17 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 9' ' ' VAL . 2.0 tt0 -141.63 111.65 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.581 ' CG2' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -86.73 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.545 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -141.41 115.54 9.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -98.04 148.37 23.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.86 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.01 -177.28 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.44 -57.61 15.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.628 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 179.65 168.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.35 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 16.9 pt-20 -50.9 -52.53 41.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.628 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.92 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.86 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.38 -45.28 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.527 ' CE ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -55.02 -50.46 69.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.4 mtmt -56.42 -37.79 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -59.1 -43.83 90.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.643 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 57.6 mmm -67.88 -32.5 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.0 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.19 -63.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.627 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.61 -175.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 142.21 27.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.646 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -139.52 135.75 33.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.423 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -132.01 -32.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.87 119.29 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.7 t -105.24 136.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -139.34 118.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.14 -176.44 4.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' N ' ' OG ' ' A' ' 57' ' ' SER . 20.3 p-10 -82.12 164.03 21.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.635 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -80.86 -14.32 58.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 54.5 m-20 -44.72 175.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.564 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.4 ptt? -108.74 67.77 0.34 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.98 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.61 -35.63 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.1 mtp -146.08 120.87 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -124.1 170.77 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -28.43 -36.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.3 mm? -72.57 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.739 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.26 -39.58 97.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.4 mp -56.44 -48.46 76.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.568 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.34 -70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD23 ' A' ' 70' ' ' LEU . 17.8 mt-30 -43.94 -32.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.78 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.31 -51.44 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 15.7 mmm180 -38.26 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -87.06 -47.96 8.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -100.32 119.76 58.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.95 -14.96 21.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.646 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -62.66 -46.27 88.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.599 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -90.73 -22.95 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.42 -21.26 50.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' CA ' ' HE2' ' A' ' 80' ' ' LYS . 13.1 pttt -96.72 -6.22 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.97 155.36 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -97.35 172.27 7.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.779 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.0 134.1 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 56' ' ' ILE . 18.8 mt -110.6 132.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.76 108.34 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.635 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -128.26 160.68 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -134.53 174.61 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.38 -14.46 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -115.39 -85.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.11 135.17 1.99 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 80.1 m-20 -141.39 79.41 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -37.06 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.82 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.3 -47.97 81.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.553 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.1 t -64.58 -59.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.38 -27.23 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 8.2 mttm -70.25 -48.93 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.374 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.484 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -55.79 -51.97 65.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' CA ' HG13 ' A' ' 107' ' ' VAL . . . -54.75 -48.8 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.29 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.618 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -42.25 -53.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.503 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 151.2 39.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.8 157.13 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.47 -48.72 47.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -164.74 116.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.779 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.7 p -126.2 129.78 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 120' ' ' ALA . 1.7 mm? -122.28 147.75 45.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.553 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.95 172.01 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -137.64 62.9 37.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.487 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.0 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.49 19.66 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.75 96.99 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.89 -26.53 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -63.86 -40.69 97.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -75.24 -57.29 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.513 ' O ' HG21 ' A' ' 121' ' ' ILE . 2.5 tmm? -55.63 -53.76 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 tttp -57.48 -58.68 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.87 -35.61 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.505 ' CB ' HD11 ' A' ' 108' ' ' LEU . . . -57.86 -56.01 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.513 HG21 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.23 -42.35 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.64 -20.34 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -87.33 -49.44 7.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.389 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.32 -31.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 -88.87 -12.89 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -142.59 -79.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -77.79 99.7 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.16 -75.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -82.97 -34.29 26.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.26 -164.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -52.84 -21.5 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -29.71 -61.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 38.58 48.27 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -68.59 128.56 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HZ1' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.76 137.52 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.731 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.21 130.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.629 ' HB3' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -111.76 118.91 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -113.42 90.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.8 p -125.28 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.142 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.02 171.35 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.42 -9.05 58.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 1.198 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.73 136.5 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.44 -52.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.653 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 16.7 p -39.36 -53.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -64.02 -52.31 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.5 tmm_? -64.57 -71.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -38.9 -31.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.653 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.6 mt -66.7 -52.09 48.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.29 -45.2 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.589 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.11 -31.76 59.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.3 m-20 -75.92 -47.13 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -47.68 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.655 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.6 mm? -55.78 -53.66 53.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 11.5 pt20 -58.4 -33.09 69.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -76.47 -12.31 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD23 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.51 -49.45 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.87 50.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.731 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.3 m-30 -76.34 158.71 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -81.01 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -136.38 111.91 9.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -84.96 131.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.37 114.24 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.553 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -98.05 152.86 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.852 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.29 -177.9 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.82 -56.47 24.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.635 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.46 168.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.63 -111.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.9 pt-20 -51.45 -52.94 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.635 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.89 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.852 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.08 1.06 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.61 -50.63 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 12.9 mtmt -56.79 -35.43 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG21 ' ND2' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -60.0 -44.4 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.7 -33.53 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.06 75.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.92 -64.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.199 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.622 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.9 -175.51 0.57 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.02 140.54 25.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.651 ' HE2' ' N ' ' A' ' 79' ' ' THR . 4.3 p-80 -134.58 147.39 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -142.33 -38.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.26 115.82 7.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.8 t -96.29 137.58 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -138.46 118.36 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -143.24 -175.53 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.2 p-10 -88.27 171.11 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.707 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.09 -13.71 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 m120 -41.65 172.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -108.64 67.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.054 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.02 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.69 -31.57 71.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.43 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 9.9 mtp -150.08 121.69 8.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.549 1.155 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 67' ' ' LEU . 10.6 t70 -123.74 171.57 9.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.79 -39.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.643 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.2 mm? -73.01 -64.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -59.53 -40.69 96.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.98 -48.17 73.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.61 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -56.77 -68.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -43.64 -31.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -49.82 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.539 HG12 ' CZ ' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -56.92 -49.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -38.29 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.47 -53.17 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.7 m-20 -93.98 123.3 59.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -14.51 20.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . . . -67.08 -46.57 73.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.651 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -87.71 -22.51 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -55.69 -26.91 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 5.95 38.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -100.36 151.88 20.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.65 171.49 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.735 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.68 138.38 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.554 ' CG1' HG22 ' A' ' 56' ' ' ILE . 10.7 mm -109.49 131.99 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.707 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 5.5 mm -127.63 109.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -122.12 164.74 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -140.67 174.22 10.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.9 -15.24 28.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.63 -87.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.16 135.98 1.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.595 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 40.0 m-20 -140.74 79.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -34.78 76.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.64 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.82 -48.76 80.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.532 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.35 -58.88 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -26.61 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 16.6 mttp -69.88 -48.89 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -56.67 -53.73 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' CA ' HG12 ' A' ' 107' ' ' VAL . . . -54.53 -47.75 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.54 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -41.12 -52.79 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.525 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 153.13 38.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' CA ' ' HG ' ' A' ' 70' ' ' LEU . . . -92.3 156.58 17.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -70.76 -49.31 48.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.507 ' OD1' ' CA ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -166.2 116.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.735 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.4 p -128.77 129.33 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.5 mm? -123.46 148.31 46.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -105.87 173.21 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.7 OUTLIER -133.75 64.36 67.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.431 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -160.26 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.443 1.76 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -94.63 19.55 9.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.91 95.06 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.12 -27.69 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.1 mm-40 -64.3 -41.31 96.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -74.97 -57.65 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.486 ' O ' HG21 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -55.31 -54.78 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.5 OUTLIER -56.32 -58.41 8.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -35.36 67.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.546 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.33 -56.02 27.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.06 -41.78 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.05 -20.28 16.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -87.94 -48.6 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.607 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.56 -32.85 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.607 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 -87.92 -10.04 51.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.22 -80.02 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 123' ' ' ALA . . . -77.92 99.1 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 0.72 . . . . 0.0 109.231 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.507 ' CA ' ' OD1' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -56.04 -67.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.486 0.184 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -83.21 -39.66 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pp -142.53 -166.42 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 7' ' ' ILE . . . -53.09 -20.5 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' LYS . 3.8 tt0 -38.06 -48.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HG3' ' CD1' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -39.46 -38.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.46 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.5 mp -90.71 131.8 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.22 140.87 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.48 138.42 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.649 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -120.19 120.7 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.594 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -115.43 89.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.7 p -125.28 136.89 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.02 170.51 17.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.12 -16.4 58.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.23 134.09 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.63 -51.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.67 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 10.4 p -39.98 -52.95 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -63.63 -53.86 44.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.9 tmm_? -63.66 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.98 -30.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.67 ' CG ' ' O ' ' A' ' 17' ' ' THR . 7.8 mt -66.78 -51.74 52.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.594 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 3.2 pp -69.95 -46.6 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.584 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.07 -30.31 60.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.4 -50.18 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.248 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.62 83.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' LEU . 2.2 mm? -56.03 -48.57 75.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 1.1 pt20 -60.41 -31.28 70.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -74.59 -13.21 60.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -83.18 -48.86 10.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.5 61.38 0.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.695 ' CZ ' ' HB ' ' A' ' 34' ' ' ILE . 2.9 p90 -76.56 171.05 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 3.1 mptt -85.02 -62.61 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.553 ' O ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.5 97.61 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.695 ' HB ' ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -73.5 139.33 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.55 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -140.22 115.28 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.45 146.66 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.65 -177.45 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -57.98 15.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.613 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 178.01 168.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.89 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.579 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.7 pt-20 -51.86 -52.3 50.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.613 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.2 mm-40 -37.46 -29.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.07 -45.15 1.04 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.2 tpt -55.47 -50.55 69.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.3 mtmt -56.48 -37.04 69.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -59.06 -45.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.649 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.5 mmm -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.63 82.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -64.46 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.0 -177.55 0.97 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 145.14 30.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.811 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -138.17 148.23 44.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.633 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -140.81 -40.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 3.9 tp -139.76 111.02 7.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.612 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 2.8 t -96.11 134.87 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.625 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -136.72 121.37 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.6 t -142.75 -175.06 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.55 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.7 p-10 -86.03 162.9 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -79.71 -14.9 58.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.724 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 72.3 m-20 -46.78 176.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.579 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.2 ptt? -108.83 69.38 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.13 -160.11 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -58.86 -32.58 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.9 mtt -148.34 118.52 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 67' ' ' LEU . 23.2 t70 -118.78 173.11 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.21 -38.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.21 -64.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 0.72 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.31 -41.85 98.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.71 -47.51 76.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 104' ' ' ALA . 1.4 tt -57.31 -69.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' HD22 ' A' ' 70' ' ' LEU . 16.9 mt-30 -42.77 -31.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.75 69.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -58.91 -51.01 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 9.4 mmm180 -38.03 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -88.4 -48.64 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 73' ' ' VAL . 7.5 m-20 -86.29 118.41 70.3 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.98 -12.69 21.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.811 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -72.57 -47.99 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.518 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -85.95 -17.2 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -49.75 -29.87 8.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.53 ' CE ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -103.33 -8.84 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.592 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -82.1 144.61 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.487 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -92.46 172.27 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.743 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.32 134.37 16.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.522 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 7.7 mt -109.9 129.74 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.557 ' CG2' ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -125.51 105.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -130.73 163.03 28.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -140.65 174.53 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.21 -12.88 14.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.14 -86.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.182 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.23 133.62 1.97 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.628 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 71.0 m-20 -141.12 78.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 93' ' ' ARG . 12.4 mtm105 -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 98' ' ' LYS . . . -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -60.87 -50.2 74.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.579 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.06 -59.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.68 -31.21 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 5.1 mttp -66.88 -50.23 63.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.99 -50.63 63.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.438 ' N ' HG11 ' A' ' 107' ' ' VAL . . . -53.62 -43.23 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.46 -48.54 64.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' LYS . 4.4 mm? -40.05 -45.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.54 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 136.72 46.23 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.6 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -95.92 157.55 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 22.8 t30 -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.05 115.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.743 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -128.11 128.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.513 HD12 ' CB ' ' A' ' 120' ' ' ALA . 1.7 mm? -124.26 145.33 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.53 ' CB ' HG23 ' A' ' 96' ' ' VAL . . . -103.84 171.89 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CB ' ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.12 63.03 48.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.491 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.419 1.747 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.52 19.62 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.491 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.05 96.46 5.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.459 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.0 -26.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.1 tt0 -64.4 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 120' ' ' ALA . 8.1 tptt -74.89 -56.82 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.496 ' O ' HG21 ' A' ' 121' ' ' ILE . 1.3 tmt? -55.79 -55.1 36.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 5.6 tttp -56.21 -58.12 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.49 -36.44 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.513 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -57.51 -57.15 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.496 HG21 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.13 -41.96 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.05 -19.45 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 127' ' ' ALA . . . -87.51 -49.28 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.483 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.95 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -87.54 -10.53 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -142.24 -83.6 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 123' ' ' ALA . . . -76.27 100.2 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD21 ' N ' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -55.48 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HG2' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -82.67 -41.85 18.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.924 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -145.12 -167.1 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 7' ' ' ILE . . . -54.55 -21.87 11.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -31.55 -49.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.514 ' HE2' ' CD2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -57.2 -62.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.498 ' O ' ' O ' ' A' ' 4' ' ' ALA . 2.2 mp -70.96 131.06 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.91 135.11 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.665 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -123.54 135.23 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.648 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.69 119.3 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.573 HD11 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -113.66 90.61 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.673 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.9 p -126.04 136.03 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -145.0 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -78.67 -13.08 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -146.49 134.52 21.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.76 -52.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.651 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 66.4 p -40.21 -52.39 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -53.08 54.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 5.8 tmm_? -64.37 -71.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.47 -31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.651 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.0 mt -67.44 -52.12 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -69.97 -45.68 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.595 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.38 -31.17 62.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.1 m-20 -75.53 -46.75 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.596 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 1.4 mm? -55.02 -48.67 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.0 pt20 -62.93 -32.01 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.4 tt0 -76.38 -12.29 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.075 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD23 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.4 -49.25 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 131.09 53.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.404 1.065 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.665 ' CE2' ' CG1' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -75.97 157.16 33.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' CB ' ' HB ' ' A' ' 7' ' ' ILE . 1.5 mmtt -77.14 -64.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 5.1 mm-40 -135.52 111.82 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CG2' HD12 ' A' ' 11' ' ' ILE . 1.3 mt -86.98 132.92 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.573 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.37 113.53 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.57 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.86 149.78 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.896 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.66 -177.96 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.23 -56.94 20.88 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.64 168.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.08 -110.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.599 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -51.98 -53.19 44.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.621 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.8 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.896 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.68 -46.15 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tpp -54.65 -50.85 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' MET . 7.8 mtmt -56.17 -36.81 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -60.27 -43.53 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.648 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.6 mmm -68.04 -32.86 73.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.33 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.67 -62.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.33 -177.0 0.82 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 141.74 27.04 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.74 ' HE2' ' N ' ' A' ' 79' ' ' THR . 3.3 p-80 -135.97 143.49 44.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.514 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 6.3 t-80 -134.79 -38.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -144.78 118.46 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.4 t -98.59 139.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.599 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.11 119.07 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -143.16 -174.54 4.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.0 p30 -89.7 171.16 9.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.66 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.43 -14.37 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.768 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 20.9 m-20 -41.85 173.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.534 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.3 ptp -108.43 67.46 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.03 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.43 -31.86 71.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.5 mtp -149.74 122.1 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.39 1.056 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 67' ' ' LEU . 17.2 t0 -124.55 172.01 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.23 -39.58 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.451 1.095 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.642 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.36 -63.78 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.58 -41.11 98.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 1.4 mp -54.88 -48.63 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.561 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 1.2 tt -58.54 -69.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' N ' HD21 ' A' ' 70' ' ' LEU . 14.1 mt-30 -43.45 -32.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.29 -51.03 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.63 -50.89 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 20.3 mmm-85 -37.64 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.32 -50.02 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.1 m-20 -101.09 123.28 45.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -14.7 21.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.89 83.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.74 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.19 -23.21 22.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -58.54 -19.55 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -4.56 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.94 148.25 23.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 172.77 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.768 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.64 137.57 22.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.56 ' CG1' HG21 ' A' ' 56' ' ' ILE . 11.6 mm -109.64 131.98 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.66 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 6.3 mm -126.65 108.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -118.48 162.97 17.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -140.83 173.92 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.43 -14.24 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.09 -89.01 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.04 133.96 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -141.63 79.32 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.467 ' HD3' ' CB ' ' A' ' 116' ' ' LYS . 1.8 mtm180 -61.09 -38.25 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.508 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -62.7 -34.93 78.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 4.6 mm? -67.2 -48.33 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.561 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -62.56 -61.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.98 -29.75 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.62 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.22 -52.78 36.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HA ' ' HG ' ' A' ' 102' ' ' LEU . . . -51.31 -56.26 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.527 ' CB ' ' CG1' ' A' ' 107' ' ' VAL . . . -56.25 -35.3 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -66.61 -53.25 36.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 98' ' ' LYS . 1.1 mt -39.14 -56.94 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.47 ' N ' HD12 ' A' ' 70' ' ' LEU . . . 163.01 43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.585 1.178 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.512 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -95.97 154.9 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.43 -50.69 29.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.467 ' OD1' ' CA ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -166.27 115.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.768 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -129.86 127.66 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 85' ' ' ILE . 2.5 mm? -121.96 150.22 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -110.62 171.26 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -129.72 69.88 81.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -96.39 21.86 8.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -127.03 99.34 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.4 pp -50.22 -28.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.2 mt-10 -63.2 -40.57 97.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.505 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 5.4 mmtt -74.64 -58.73 3.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.209 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.513 ' O ' HG21 ' A' ' 121' ' ' ILE . 1.5 ttt -55.29 -55.05 35.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 13.0 tttt -55.43 -58.19 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.69 -37.35 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.524 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -58.13 -56.63 19.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.513 HG21 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -57.88 -41.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.74 -20.4 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -87.08 -49.36 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.4 -37.39 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -83.89 -9.19 58.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.57 -82.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 123' ' ' ALA . . . -78.01 99.12 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.467 ' CA ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -59.69 -70.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -82.4 -40.87 20.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -146.05 -165.71 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.601 ' O ' ' O ' ' A' ' 7' ' ' ILE . . . -54.46 -23.41 15.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 4' ' ' ALA . 2.1 tt0 -29.34 -45.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' ALA . 2.7 tptt -70.76 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.601 ' O ' ' O ' ' A' ' 4' ' ' ALA . 2.6 mp -68.24 129.0 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.57 137.88 28.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.62 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.37 136.02 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.655 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.65 120.72 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.56 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -115.52 89.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.673 HG21 ' C ' ' A' ' 37' ' ' ALA . 4.7 p -124.59 136.89 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -145.91 171.75 14.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.226 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.89 -4.6 53.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -155.57 134.32 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.25 -51.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.648 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 12.6 p -40.29 -53.02 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.3 m -63.99 -53.1 55.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.26 -71.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -38.6 -31.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CG ' ' O ' ' A' ' 17' ' ' THR . 9.5 mt -67.01 -51.92 48.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.78 -45.68 64.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.583 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -56.62 -31.53 60.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.0 m-20 -75.69 -47.15 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -47.54 68.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.634 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.73 -53.05 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.6 pt20 -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 32.2 tp60 -76.5 -13.17 60.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.641 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.24 -49.66 12.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.48 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 134.88 51.94 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.641 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.67 161.51 28.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mptt -81.09 -63.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -138.72 109.07 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG21 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.62 131.65 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.509 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.11 112.86 10.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 151.74 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.85 -178.28 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -56.8 22.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.632 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.74 168.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 0.785 . . . . 0.0 109.378 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.33 -110.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.5 pt-20 -51.62 -53.41 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.632 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -38.21 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.17 -45.2 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.443 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -55.32 -50.62 69.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 111.022 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 44' ' ' MET . 0.1 OUTLIER -56.6 -37.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -59.34 -44.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.655 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.3 mmm -67.99 -33.14 74.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.4 83.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -64.33 -63.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.593 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.43 -176.67 0.78 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 143.33 28.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.687 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -136.89 142.01 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -132.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.73 118.44 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.1 t -98.76 138.4 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.01 119.12 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.544 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.3 t -142.91 -175.24 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.544 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.9 p-10 -89.72 171.7 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.708 ' HB2' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -83.33 -13.27 55.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 111.046 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.767 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 m120 -41.61 171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.533 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.3 ptp -108.67 67.28 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.767 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.01 -159.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.18 -31.58 72.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.415 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 6.6 mtp -149.79 123.28 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.664 ' O ' ' N ' ' A' ' 67' ' ' LEU . 22.6 t0 -126.8 171.46 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.38 -39.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.664 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.2 mm? -72.65 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.69 -40.05 97.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.2 mp -55.32 -48.03 74.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.578 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.05 -69.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 70' ' ' LEU . 17.4 mt-30 -43.73 -32.18 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 68' ' ' GLY . . . -65.09 -50.41 66.23 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.562 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.4 -51.34 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.52 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 13.7 mmm180 -37.56 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -85.54 -52.57 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.7 m-20 -93.47 121.81 64.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -14.91 20.94 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.687 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -65.79 -45.89 80.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.541 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -88.98 -23.23 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -58.11 -21.05 44.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.91 0.03 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.53 149.01 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -93.07 171.93 8.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.77 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.97 135.53 19.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.546 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 20.7 mt -108.76 132.16 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.706 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 5.9 mm -126.47 110.33 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.27 166.23 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.708 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 4.7 t -141.15 174.64 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.48 -17.4 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -120.65 -86.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.429 ' N ' HG21 ' A' ' 88' ' ' THR . . . 162.03 136.62 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.595 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 29.8 m-20 -140.57 79.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 0.8 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -59.63 -35.71 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.326 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.4 92.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -59.05 -48.39 81.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.55 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.2 t -62.81 -59.4 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.4 -26.58 8.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 3.0 mttt -70.1 -49.24 52.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.474 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -56.64 -53.74 54.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.485 ' CA ' HG11 ' A' ' 107' ' ' VAL . . . -54.57 -47.45 73.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.53 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.622 HD21 ' N ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -42.93 -51.93 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 151.3 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.446 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.64 157.44 15.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.6 t-20 -70.46 -50.17 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.5 116.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.77 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.4 p -127.51 128.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.0 mm? -120.49 148.18 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.55 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -106.29 172.66 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.1 OUTLIER -137.4 64.61 46.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -160.68 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -91.85 19.93 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -122.13 95.83 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -50.98 -27.01 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.6 mm-40 -64.26 -41.0 97.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.44 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.491 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 tmt? -55.11 -54.29 45.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -57.05 -58.44 8.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.52 -36.95 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -57.21 -57.25 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -58.86 -41.73 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.97 -19.98 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.35 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.55 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -88.87 -47.94 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.87 -35.95 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.24 -16.46 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -136.13 -83.51 0.15 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.55 ' C ' ' O ' ' A' ' 123' ' ' ALA . . . -77.64 98.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 0.814 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -54.47 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' N ' ' HB2' ' A' ' 6' ' ' LYS . 43.3 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.443 0.163 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -37.33 75.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.48 -165.16 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' ILE . . . -53.76 -20.78 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -33.25 -46.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HB2' ' N ' ' A' ' 1' ' ' MET . 3.9 tptp -41.16 -50.75 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 4' ' ' ALA . 3.7 mp -72.73 139.8 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.0 140.34 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.608 HG12 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.92 134.66 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.652 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -115.02 121.34 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -116.22 90.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.704 HG23 ' C ' ' A' ' 37' ' ' ALA . 5.5 p -124.0 137.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.4 171.63 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.553 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 2.1 t0 -74.54 -22.92 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 138.24 35.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.48 -52.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.65 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 77.9 p -38.21 -53.05 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 m -63.88 -53.51 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.03 -71.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -38.98 -31.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.8 mt -67.17 -51.65 51.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -71.1 -45.23 64.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.51 -31.55 63.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.6 m-20 -75.85 -47.06 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.78 68.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.669 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.69 -53.52 55.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 9.1 pt20 -58.85 -33.07 70.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.6 tm0? -75.55 -11.92 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD22 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.22 -49.5 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.5 50.97 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.669 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 1.3 m-30 -75.43 159.62 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -80.83 -63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -137.68 111.65 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -84.86 132.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.501 ' N ' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -136.85 113.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -97.88 151.24 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.12 -177.59 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.2 -57.03 20.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.627 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.99 168.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.216 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -110.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.8 pt-20 -51.53 -53.26 39.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.627 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.97 -28.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.25 -45.38 1.09 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.436 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 0.9 OUTLIER -55.25 -50.85 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 44' ' ' MET . 10.9 mtmt -56.25 -37.42 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.602 1.189 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -44.52 91.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 51.6 mmm -67.03 -33.29 75.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.68 83.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -64.41 -63.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.604 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.37 -176.37 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.01 143.24 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.666 ' HE2' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -138.12 143.46 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -136.02 -39.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.565 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -143.25 117.27 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.6 t -98.51 138.29 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -139.54 118.61 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.98 -175.28 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.1 p-10 -87.51 171.52 10.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.712 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.71 -14.61 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 27.3 p-10 -40.88 171.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.16 68.26 0.31 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.02 -159.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.46 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 31.1 mtp -149.37 122.41 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 67' ' ' LEU . 9.0 t70 -125.43 172.39 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.1 -39.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.2 mm? -72.71 -64.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.42 -39.94 96.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.4 mp -55.6 -48.43 74.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.57 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -57.77 -69.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' N ' HD22 ' A' ' 70' ' ' LEU . 17.4 mt-30 -43.88 -31.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 110.23 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -64.84 -49.4 70.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -59.63 -51.71 69.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.53 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 16.3 mmm180 -37.74 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.86 -51.47 6.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.6 m-20 -96.6 123.18 55.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.487 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.01 -15.06 20.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.666 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . . . -64.09 -46.81 82.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.581 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.52 -23.01 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.436 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.515 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -56.2 -21.72 24.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.19 1.64 33.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.53 146.03 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -91.32 172.12 8.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.783 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.26 135.72 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.566 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 21.0 mt -108.92 132.16 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.712 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 6.6 mm -125.99 109.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.67 163.84 17.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -140.07 174.72 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -64.08 -13.35 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.11 -89.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.414 ' N ' HG23 ' A' ' 88' ' ' THR . . . 167.42 134.3 1.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 33.3 m-20 -140.9 79.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -62.49 -36.94 84.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.7 91.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 0.3 OUTLIER -59.11 -49.96 75.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.566 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -62.8 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -27.03 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 6.0 mttm -69.99 -49.18 54.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.5 -53.63 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' CA ' HG13 ' A' ' 107' ' ' VAL . . . -54.38 -48.07 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.19 89.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -40.9 -53.67 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.507 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 154.09 39.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.422 1.076 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HA ' ' HG ' ' A' ' 70' ' ' LEU . . . -94.59 157.33 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.08 -49.4 44.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -166.37 115.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.783 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.4 p -126.32 129.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.399 1.062 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 2.4 mm? -122.57 149.74 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.566 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -110.74 171.54 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -131.44 67.02 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.577 1.83 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.41 19.49 9.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.455 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -123.14 97.8 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.61 -26.92 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.5 mt-10 -64.24 -40.73 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.455 ' CB ' HG23 ' A' ' 113' ' ' THR . 2.2 tmtm? -75.43 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.495 ' O ' ' CG2' ' A' ' 121' ' ' ILE . 7.2 tmm? -55.29 -53.75 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -57.53 -58.91 6.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.49 -36.02 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' A' ' 108' ' ' LEU . . . -56.79 -55.07 39.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.93 -42.06 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -56.23 -20.77 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' A' ' 127' ' ' ALA . . . -88.75 -41.37 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.476 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.09 -32.07 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 121' ' ' ILE . 48.0 m-85 -89.9 -42.13 11.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.63 -50.8 2.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 123' ' ' ALA . . . -76.1 98.39 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 0.832 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.445 HD21 ' N ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -61.07 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.5 tttt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.378 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HE2' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -56.97 -39.15 74.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.502 HD13 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -144.24 -164.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -53.28 -21.15 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -30.66 -69.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.573 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 33.94 58.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -64.61 125.58 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.76 141.26 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.631 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.52 131.15 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.65 ' CB ' ' CG ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -112.98 122.01 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -116.47 90.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.684 HG22 ' C ' ' A' ' 37' ' ' ALA . 4.8 p -125.4 137.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.4 t0 -79.38 -9.14 59.53 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.497 1.123 . . . . 0.0 109.381 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -149.03 132.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.71 -51.82 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.653 ' O ' ' CG ' ' A' ' 21' ' ' LEU . 68.4 p -40.14 -53.28 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.8 m -64.3 -52.5 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' NH1' ' CB ' ' A' ' 36' ' ' ALA . 5.6 tmm_? -64.11 -71.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -40.06 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.653 ' CG ' ' O ' ' A' ' 17' ' ' THR . 8.4 mt -66.35 -51.94 52.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.32 -45.54 66.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.591 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -57.34 -30.78 61.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.92 -47.41 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 -47.75 68.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.614 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.16 -51.09 67.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.1 pt20 -60.84 -32.68 72.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.46 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.5 -12.78 60.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.639 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.02 -49.58 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.75 53.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.639 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.1 m-30 -75.67 160.64 29.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.92 -63.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' CD ' ' A' ' 8' ' ' LYS . 2.6 tp60 -138.06 111.21 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.554 ' CG2' HD13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -84.71 133.14 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.574 ' N ' HD12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -137.08 112.45 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.569 ' CB ' ' NH1' ' A' ' 19' ' ' ARG . . . -96.8 151.03 20.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.63 -177.94 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -57.27 19.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.616 ' H ' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 177.19 168.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.44 -112.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.6 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -52.2 -52.37 52.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.616 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.7 -29.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.865 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.83 -45.62 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -55.24 -50.62 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.1 mtmt -56.69 -37.61 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -43.48 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.5 mmm -67.42 -33.86 76.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.7 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -64.56 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.11 -175.85 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 142.63 28.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.721 ' HE2' ' N ' ' A' ' 79' ' ' THR . 4.5 p-80 -139.14 143.83 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -138.0 -37.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -142.96 114.79 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 3.3 t -98.19 137.03 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.59 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -138.39 119.01 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -142.61 -175.48 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 30.0 p-10 -84.14 165.92 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -82.23 -13.88 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 2.5 m-20 -44.97 175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.565 ' O ' ' CG ' ' A' ' 61' ' ' MET . 3.3 ptt? -108.79 67.92 0.34 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.09 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HD3' ' CD ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -60.63 -31.16 70.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.432 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 5.1 mtp -152.11 121.84 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.2 t0 -123.64 170.71 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.32 -37.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.4 mm? -72.57 -64.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.56 -40.36 97.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 1.2 mp -55.81 -47.65 76.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.587 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -56.21 -69.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' N ' HD23 ' A' ' 70' ' ' LEU . 21.2 mt-30 -43.94 -32.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.79 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.52 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 18.3 mmm-85 -37.96 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.82 -52.2 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -97.68 123.69 51.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.492 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.0 -14.26 21.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.53 80.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.721 ' N ' ' HE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.08 -23.09 22.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -58.03 -18.55 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -1.73 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.59 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.6 147.48 25.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -91.02 172.22 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.736 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.86 135.35 18.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.516 ' CD1' ' CG2' ' A' ' 56' ' ' ILE . 22.5 mt -110.46 132.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.51 108.63 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.211 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.06 162.38 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.573 ' HB ' ' HB2' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -137.47 174.6 10.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.64 -15.18 10.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -117.33 -86.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 157.79 136.09 2.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.084 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.599 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 65.1 m-20 -140.94 79.2 1.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -58.68 -37.61 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.51 97.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.21 -48.64 79.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.548 ' CG2' ' CB ' ' A' ' 109' ' ' ALA . 1.1 t -62.85 -58.93 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -27.25 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 23.0 mttt -69.63 -48.66 59.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.47 ' O ' HD11 ' A' ' 70' ' ' LEU . . . -57.01 -51.73 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' CA ' HG12 ' A' ' 107' ' ' VAL . . . -54.05 -49.37 69.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.6 88.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -40.12 -53.06 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.503 ' N ' ' CD1' ' A' ' 70' ' ' LEU . . . 150.01 39.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.428 ' N ' HD11 ' A' ' 70' ' ' LEU . . . -94.23 157.51 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.85 -48.78 52.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -165.88 115.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.363 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.736 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -125.77 129.45 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 120' ' ' ALA . 1.9 mm? -122.12 148.11 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.548 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . . . -105.66 172.11 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -137.95 62.8 35.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 19.64 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -121.86 96.17 4.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -27.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -63.49 -41.08 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.0 tptt -74.96 -57.83 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 121' ' ' ILE . 8.7 tmm? -55.25 -54.68 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.1 tmtt? -56.38 -58.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.213 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.63 -36.34 66.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.52 ' CB ' HD11 ' A' ' 108' ' ' LEU . . . -57.79 -56.18 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.78 -41.28 79.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.5 -19.67 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -88.42 -48.15 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.483 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.74 -36.25 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 124' ' ' VAL . 44.2 m-85 -85.47 -9.55 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -143.7 -82.72 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 123' ' ' ALA . . . -77.13 99.53 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.445 ' N ' HD21 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -59.68 -69.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.692 HD13 ' HD3' ' A' ' 32' ' ' LYS . 2.8 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.67 140.15 22.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.29 138.79 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.56 120.29 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.102 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.96 89.8 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.917 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.41 137.41 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -148.19 170.95 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.9 t0 -78.73 -11.03 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 136.29 19.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.89 -51.5 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.834 ' O ' HD12 ' A' ' 21' ' ' LEU . 70.0 p -39.91 -53.03 2.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -63.76 -53.77 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.77 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.3 tmm_? -63.94 -71.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.16 -31.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -65.87 -51.86 55.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -70.59 -46.31 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.072 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.08 -30.99 61.26 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 11.0 m-20 -75.08 -49.81 18.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.8 83.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -55.77 -48.79 74.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -59.71 -31.86 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.628 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 9.9 tt0 -73.93 -11.52 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.0 -48.5 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 119.82 61.57 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.997 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.3 p90 -76.72 171.51 14.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.692 ' HD3' HD13 ' A' ' 7' ' ' ILE . 3.9 tptt -85.06 -63.18 1.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.8 tt0 -143.24 97.36 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.102 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -72.39 139.66 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.42 115.41 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.77 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.68 147.81 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.76 -176.97 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.59 -57.44 17.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.917 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.72 168.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.61 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.2 pt-20 -51.43 -52.78 43.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.54 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.54 -44.89 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.589 1.181 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.568 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.29 -50.44 69.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -56.36 -37.77 70.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -44.74 90.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 58.4 mmm -67.44 -32.06 72.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.47 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.19 -62.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.54 -177.75 1.0 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.581 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 2.4 p-80 -136.59 147.43 46.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -140.37 -40.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.566 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 9.6 tp -140.1 111.86 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.68 135.8 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.99 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.71 120.43 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.76 -175.31 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' N ' ' OG ' ' A' ' 57' ' ' SER . 32.2 p-10 -86.72 167.55 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.924 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.52 -14.63 54.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 55.9 m-20 -43.71 174.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -108.35 67.53 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -74.91 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.34 -32.04 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.453 ' HB3' HD12 ' A' ' 69' ' ' LEU . 16.1 mtp -151.32 122.74 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -125.23 171.74 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.17 -37.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.74 -39.82 97.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.838 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.24 -47.44 78.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.471 0.748 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.69 -69.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -43.8 -32.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.96 68.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.04 -51.11 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 11.7 mmm180 -37.66 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.74 -49.99 7.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -100.21 123.09 48.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.596 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.1 -16.3 20.05 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -47.03 86.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.751 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.84 -23.55 22.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -60.04 -19.7 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -98.47 -6.68 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.5 155.11 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -98.08 172.06 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.819 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.2 136.27 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.99 ' HB ' HG22 ' A' ' 56' ' ' ILE . 6.5 mt -111.67 132.56 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.924 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.56 109.36 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -126.07 167.58 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.856 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -138.47 174.75 10.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 110.445 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -57.85 -16.06 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -118.71 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.47 135.59 1.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.661 ' HB3' HD23 ' A' ' 95' ' ' LEU . 53.8 m-20 -140.94 78.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -60.9 -37.13 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' A' ' 92' ' ' ASP . 3.4 mm? -67.6 -47.93 68.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.999 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.52 -59.99 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.486 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -50.62 -27.51 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.705 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -69.05 -48.83 61.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.83 -51.55 68.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.91 -48.63 72.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.86 92.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -41.07 -52.81 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.02 39.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.04 157.72 15.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 0.736 . . . . 0.0 109.353 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.9 t30 -70.49 -49.04 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.72 115.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.819 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.8 p -125.7 128.64 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.079 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -121.63 148.16 44.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.999 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.11 171.69 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.91 62.32 39.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.03 -160.45 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -94.01 19.14 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -120.1 96.95 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.29 -27.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -63.81 -40.85 97.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.594 ' CB ' HG23 ' A' ' 113' ' ' THR . 3.1 tppt? -75.44 -57.68 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.886 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -54.96 -54.23 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 20.4 tttt -57.3 -58.43 8.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -34.99 66.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.079 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.54 -56.79 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.99 -42.42 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.01 -19.32 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.75 -49.06 7.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.622 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -61.47 -29.73 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.68 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.517 HD13 ' HG2' ' A' ' 32' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.99 136.57 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.61 138.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -117.3 119.69 35.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.027 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.35 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.885 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.3 p -125.4 135.97 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.69 171.67 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.82 -10.76 59.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -148.04 134.0 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.628 HG12 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -51.45 -51.56 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 62.2 p -40.4 -53.26 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -64.38 -52.18 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.06 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -63.73 -71.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.122 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.122 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.02 -51.01 60.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.079 HD12 ' N ' ' A' ' 23' ' ' GLY . 2.9 pp -69.89 -44.02 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.079 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.58 -31.61 63.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.78 -47.7 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -48.26 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -55.19 -53.12 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 10.6 pt20 -57.83 -31.6 66.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.0 tt0 -77.31 -11.74 59.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -84.09 -49.85 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 149.11 49.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.37 1.044 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.711 ' CD1' ' HA ' ' A' ' 27' ' ' GLN . 4.3 p90 -70.99 137.67 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG2' HD13 ' A' ' 7' ' ' ILE . 4.5 mptt -84.77 -49.73 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.3 tp60 -145.37 96.81 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.72 133.13 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.86 113.6 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.06 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.16 148.43 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -134.19 -177.9 4.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.16 -57.18 20.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.885 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.03 168.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.6 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.25 -111.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.537 1.148 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.6 pt-20 -52.32 -52.45 53.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.05 -45.25 1.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.4 -50.42 69.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.95 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.75 -44.08 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.604 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.56 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -63.38 -48.13 79.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.63 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.39 -175.07 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.9 140.68 26.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -131.74 137.49 48.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 0.0 109.621 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -132.81 -39.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 11.6 tp -146.2 112.77 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.847 HG13 HD12 ' A' ' 10' ' ' LEU . 3.1 t -95.65 135.07 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.989 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.31 119.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -141.38 -175.16 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' N ' ' OG ' ' A' ' 57' ' ' SER . 14.1 p-10 -86.86 164.85 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.237 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.998 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.54 -14.41 56.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.758 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 65.8 m-20 -45.77 176.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.1 ptp -108.07 68.13 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.758 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.01 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.67 -30.36 69.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.451 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 4.1 mtt -152.15 122.19 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.9 t70 -124.11 171.76 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.75 -37.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.37 -64.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.91 -39.92 97.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.783 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.05 -48.16 76.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.1 tt -57.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -42.86 -32.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.19 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.45 66.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.798 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.66 -51.21 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.83 -30.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.54 -51.05 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -99.82 124.42 44.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -14.46 21.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -63.93 -47.45 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.58 -23.08 23.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.19 -19.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 -3.03 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.19 155.43 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -97.39 171.62 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.751 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -151.07 134.93 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.989 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.55 130.05 63.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.998 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -128.08 108.4 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.865 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.32 166.01 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.865 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.83 174.57 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.79 -13.9 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -115.71 -87.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.12 133.9 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.498 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 34.9 m-20 -141.13 78.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD3' ' CD ' ' A' ' 116' ' ' LYS . 54.9 mtm180 -57.59 -37.9 73.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.83 92.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -60.07 -48.08 83.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.983 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.24 -61.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.524 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -49.3 -28.42 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.7 mttm -69.16 -48.99 60.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.66 -53.45 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.783 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -53.67 -48.66 69.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.75 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.61 -53.41 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.64 39.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.705 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.24 157.67 15.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 5.2 t-20 -70.55 -50.9 32.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 9.2 m-80 -164.95 115.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -127.33 130.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.099 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -124.13 147.9 47.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.983 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.0 172.03 7.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -136.63 63.73 48.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.06 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -92.47 19.55 7.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -121.48 96.9 5.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -26.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 32.1 tt0 -64.29 -40.17 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.176 . . . . 0.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.595 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -75.27 -57.92 3.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.785 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.3 ttt -55.51 -53.04 61.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 9.1 ttpt -58.11 -58.88 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -35.67 67.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.099 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.6 -55.47 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -56.85 -42.5 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.18 -20.51 18.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.87 -45.81 9.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.61 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -62.55 -29.93 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.61 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.62 138.59 21.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.78 134.89 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 119.7 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.043 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.43 90.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.882 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.2 p -124.59 138.41 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -149.35 170.92 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.567 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -74.1 -21.43 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 138.07 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -52.15 -52.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.794 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.0 p -38.42 -52.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 m -64.19 -52.84 56.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.789 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.29 -31.86 0.09 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -66.84 -51.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.06 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -70.64 -45.16 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.06 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.71 -31.7 60.94 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -75.33 -48.13 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -48.23 69.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.71 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.4 mm? -54.72 -52.79 61.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.3 pt20 -59.95 -32.38 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -77.67 -11.68 59.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.66 -49.94 10.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.2 50.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.89 158.82 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 tt0 -137.32 111.47 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.043 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -83.94 133.3 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.73 113.2 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.789 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.98 150.45 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.3 -177.74 4.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.28 -56.97 21.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.882 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.32 168.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.81 -110.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.589 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.38 -53.27 38.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.286 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.1 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.79 -45.85 1.08 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.46 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -54.64 -50.66 67.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 11.2 mtmt -56.75 -37.31 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -59.1 -43.73 89.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.0 mmm -67.55 -33.29 74.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 111.046 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.37 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.09 -63.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.603 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.26 -176.48 0.71 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -136.4 144.52 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -137.21 -38.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -145.21 119.59 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -99.25 139.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.13 119.32 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -143.23 -175.71 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.4 t0 -89.39 172.25 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.983 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.5 -14.77 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 18.7 p-10 -42.21 172.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.539 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.03 68.74 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.99 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -63.13 -31.79 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.466 ' O ' HD13 ' A' ' 69' ' ' LEU . 14.4 mtp -148.1 117.08 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 67' ' ' LEU . 37.4 t0 -118.43 171.92 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.63 -39.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.86 -63.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.4 -41.28 98.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.802 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -56.14 -47.59 77.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.944 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -58.24 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -43.81 -31.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -50.0 69.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.811 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.88 -51.15 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.4 mmm180 -38.12 -30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.24 -53.32 5.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -95.18 123.71 56.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.0 -13.57 21.37 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -65.98 -46.22 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.811 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.43 -22.44 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.368 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.61 -23.3 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 0.93 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.62 145.54 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.11 172.09 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.764 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.6 138.65 23.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.4 mm -110.55 131.81 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.983 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.9 mm -128.25 109.73 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.64 168.72 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.9 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -140.84 174.86 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.445 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.467 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.78 -16.43 16.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -123.21 -86.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.42 134.73 1.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.545 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 21.8 m-20 -140.05 78.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -59.76 -33.45 71.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -57.63 -50.27 73.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.988 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -61.96 -58.8 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.488 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -50.1 -28.91 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.767 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.34 -51.24 54.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -52.81 -50.86 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.3 -43.04 70.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.21 -48.83 66.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.861 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -39.41 -44.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.944 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.08 44.39 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.12 158.17 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.24 -48.83 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.591 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.5 OUTLIER -166.43 116.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.764 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 9.8 p -128.9 127.28 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.141 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.34 148.21 45.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.988 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.08 172.5 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -132.42 64.33 71.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.99 -160.1 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.04 19.89 12.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.073 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.572 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.67 96.42 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.408 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.81 -27.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 9.7 mt-10 -64.16 -41.19 97.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.33 -57.53 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.928 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -55.15 -54.77 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 ttmm -56.49 -58.56 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.61 -35.36 65.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.141 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -59.42 -56.08 26.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.23 -42.01 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.75 -20.39 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.89 -48.82 7.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.56 -32.45 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.617 ' HE2' HD12 ' A' ' 121' ' ' ILE . 16.5 m-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HB ' ' HG3' ' A' ' 32' ' ' LYS . 4.1 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -151.23 141.78 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.05 137.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -118.96 119.18 33.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.094 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.61 90.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.918 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.5 p -125.46 137.17 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.82 171.21 16.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -78.63 -17.52 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.34 134.02 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.04 -52.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.5 p -39.69 -52.03 2.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.16 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.4 m -64.07 -53.97 41.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.066 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.75 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.25 -30.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.1 mt -67.0 -51.87 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.75 -46.2 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.3 -31.7 62.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 17.6 m-20 -74.74 -49.07 22.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.43 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -56.13 -48.47 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.35 -31.66 70.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.617 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 5.4 tt0 -73.6 -10.98 60.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.75 -47.94 9.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.75 61.07 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.6 p90 -76.19 172.85 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG3' ' HB ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -86.02 -63.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.5 tt0 -143.15 97.33 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.094 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.01 140.54 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.66 116.2 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.436 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.066 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.65 146.74 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.885 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -132.01 -177.07 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -57.27 17.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.918 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.22 168.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 0.787 . . . . 0.0 109.351 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.18 -112.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.2 pt-20 -50.58 -52.43 39.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.635 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.09 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.885 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.61 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -57.08 -36.15 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.64 -44.91 94.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.619 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.03 -32.92 74.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.43 77.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.69 -63.83 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.624 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.37 29.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.659 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.44 145.3 45.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.665 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -141.13 -40.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 1.4 tp -141.05 111.42 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -96.11 136.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.37 120.11 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.0 t -142.09 -175.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.937 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.9 p-10 -86.14 163.13 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.966 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.07 -14.61 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.749 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 75.9 m-20 -46.03 176.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.581 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.8 ptt? -108.4 68.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.749 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.1 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.552 1.817 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.12 -30.92 70.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 18.2 mtp -150.94 119.84 6.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.8 t0 -120.13 172.46 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.79 -37.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.616 1.198 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.32 -63.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.86 -41.88 99.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.724 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -54.66 -48.79 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.937 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.31 -69.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -42.7 -31.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.39 66.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.063 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.803 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.64 -50.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.651 ' HD3' HD21 ' A' ' 70' ' ' LEU . 22.4 mmm-85 -38.01 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 110.197 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.83 -53.38 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.95 123.95 55.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.507 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -11.8 21.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.599 1.841 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.559 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -67.22 -45.92 75.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.803 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.7 -22.47 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.81 -20.63 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.14 3.79 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.24 154.63 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.434 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -96.0 170.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.745 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.3 134.49 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.13 130.31 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.966 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.64 106.87 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -129.65 162.39 28.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.884 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.71 174.47 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.62 -15.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.94 -85.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 88' ' ' THR . . . 159.35 136.23 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.618 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 76.2 m-20 -141.28 77.88 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -57.29 -36.34 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 98' ' ' LYS . . . -65.09 -39.97 93.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.59 -49.48 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.814 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.34 -60.08 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.526 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 25.0 mttt -67.52 -49.6 62.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -54.14 -51.92 62.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.63 -42.41 67.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.73 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 70' ' ' LEU . 3.0 mm? -40.29 -45.92 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.937 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.79 46.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.406 1.066 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.83 157.98 15.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.3 t30 -71.11 -49.58 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.34 115.44 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.745 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.7 p -127.25 129.94 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.027 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.7 146.78 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.814 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.19 171.74 7.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.2 OUTLIER -138.28 62.69 32.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -160.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.26 19.13 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.6 95.62 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.93 -26.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 8.1 tt0 -64.33 -41.2 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.556 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.04 -57.93 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' ILE . 9.6 tmm? -54.84 -53.91 49.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.3 ttmm -57.52 -58.47 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.99 -35.37 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.027 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.55 -56.77 17.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.15 -42.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.83 -20.77 16.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -86.74 -49.29 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.627 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.6 -30.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.627 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.454 HG21 ' HD3' ' A' ' 32' ' ' LYS . 4.4 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.23 142.21 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.758 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.96 137.25 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.72 119.28 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.099 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.18 89.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.4 p -125.32 136.8 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.67 171.42 15.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -13.94 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -146.65 135.89 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.86 -52.01 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.808 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.9 p -39.45 -53.54 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -63.61 -53.35 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.067 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -64.01 -71.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.75 -30.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.1 -52.04 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.74 -46.11 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.75 -30.92 63.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.3 m-20 -74.88 -48.91 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.94 78.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.1 mm? -55.4 -47.31 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.3 pt20 -61.74 -31.44 71.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.618 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -74.39 -11.65 60.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -84.37 -49.0 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.193 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.71 61.14 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.938 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.8 p90 -76.42 171.38 14.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD3' HG21 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -85.59 -62.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 96.05 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.099 HG23 HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -72.83 140.99 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -142.25 116.48 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.067 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.63 148.76 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.09 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.1 -57.55 16.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.915 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.58 168.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 0.802 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.98 -111.6 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.7 pt-20 -51.65 -52.68 46.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.639 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -38.15 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.39 -45.49 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.3 tpt -55.55 -50.91 68.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.8 mtmt -56.12 -36.21 67.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.9 -44.9 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.607 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.33 -32.59 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.11 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -64.62 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.226 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.636 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.15 -175.01 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.92 141.63 27.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.559 1.821 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.609 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 5.0 p-80 -135.67 142.93 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -139.35 -42.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.632 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CG1' ' A' ' 9' ' ' VAL . 4.2 tp -138.5 112.31 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 10' ' ' LEU . 4.0 t -97.61 136.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.984 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.48 119.91 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -142.62 -175.03 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.1 p30 -90.37 171.3 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.881 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.85 -14.34 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.78 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 19.7 m-80 -41.38 172.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.6 ptt? -108.38 66.61 0.29 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.78 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.0 -159.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.42 1.747 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.89 -31.12 72.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 15.7 mtt -151.73 124.4 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 67' ' ' LEU . 16.7 t70 -127.14 172.69 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.16 -38.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.3 mm? -72.6 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.5 -40.28 97.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.0 mp -56.13 -48.56 75.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -57.95 -70.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -43.88 -31.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.49 -49.68 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.99 -49.99 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.609 ' HD3' HD21 ' A' ' 70' ' ' LEU . 12.3 mmm180 -37.59 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.1 -50.71 8.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.2 m-20 -100.38 124.34 43.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.601 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.97 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -62.57 -46.63 87.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.789 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.38 -23.13 22.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.601 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.34 -18.69 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -5.26 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.66 154.43 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -98.84 171.03 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.839 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.45 135.39 18.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.984 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.0 mt -108.62 132.97 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.881 HG22 ' CD1' ' A' ' 59' ' ' PHE . 12.8 mm -126.97 109.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.399 1.062 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.927 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.02 164.55 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.927 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -139.3 174.64 10.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.59 -15.57 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.63 -88.86 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG23 ' A' ' 88' ' ' THR . . . 164.09 133.53 1.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 50.9 m-20 -141.11 79.08 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -41.24 87.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.47 91.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -59.86 -48.8 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -63.72 -61.57 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.46 -28.09 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.639 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 12.2 mttm -69.16 -52.06 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -50.88 -56.39 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 1.029 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -36.48 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -65.06 -53.19 49.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -39.64 -57.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.783 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.16 43.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.945 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.54 154.65 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.18 -49.71 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.403 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.9 m-20 -165.99 114.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 1.029 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.95 129.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.081 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.3 mm? -121.89 150.57 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.6 172.01 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -133.37 66.1 73.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.94 -160.54 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -93.2 19.96 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -123.13 96.25 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.35 -26.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 7.1 tt0 -64.74 -40.9 96.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.584 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.53 -57.07 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.777 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.4 tmm? -55.56 -53.94 50.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 3.7 tttp -57.57 -58.27 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -36.11 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.081 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.89 -54.99 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.402 1.064 . . . . 0.0 109.222 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.96 -43.0 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -55.74 -20.23 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.18 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -89.58 -40.82 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.546 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.64 -30.58 50.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.607 ' HE2' HD12 ' A' ' 121' ' ' ILE . 52.0 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.589 HD13 ' HE3' ' A' ' 32' ' ' LYS . 1.9 mp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.29 133.6 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -121.96 133.57 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.908 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.1 119.4 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.27 89.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.0 p -126.18 138.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.09 171.18 16.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.43 -9.05 58.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 134.57 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.9 -52.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.789 ' O ' HD12 ' A' ' 21' ' ' LEU . 78.1 p -39.47 -52.81 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.617 1.198 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -64.54 -52.25 58.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.79 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.069 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.119 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.4 -31.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.119 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -67.39 -51.5 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.071 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -69.99 -44.65 68.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.071 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.64 -32.07 61.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.7 m-20 -75.58 -46.52 31.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -48.09 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.727 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.84 -53.26 58.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.0 pt20 -58.83 -33.29 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.9 tt0 -77.84 -12.29 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.36 -49.88 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.15 49.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.934 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.13 159.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE3' HD13 ' A' ' 7' ' ' ILE . 5.7 mmtt -81.61 -63.96 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.758 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -137.19 110.12 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.052 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.1 132.99 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.8 113.5 9.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.79 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 153.9 17.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.02 -178.12 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.59 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.822 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.86 167.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.38 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 13.41 -108.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.609 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.9 pt-20 -50.57 -53.34 31.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 110.297 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.659 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -39.12 -27.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.53 -43.12 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -55.61 -50.38 70.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.03 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' MET . 17.3 mtpt -56.97 -37.0 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.09 -43.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.626 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 6.5 mmt -68.89 -33.35 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.97 80.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.2 -62.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -176.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 141.69 26.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.61 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.7 p-80 -134.6 142.01 46.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.561 1.163 . . . . 0.0 109.554 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -134.55 -37.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -149.23 119.72 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.7 t -98.16 140.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.18 118.88 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.552 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.13 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' N ' ' OG ' ' A' ' 57' ' ' SER . 13.3 t70 -91.86 171.93 8.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.789 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -80.46 -16.39 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.739 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -40.56 170.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.544 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.1 ptp -109.28 68.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.99 -160.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.36 -32.13 70.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.377 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.9 mtt -148.6 117.94 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.6 t70 -118.97 171.92 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.91 -39.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.5 mm? -72.87 -63.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.03 -42.03 98.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.579 1.175 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.722 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -55.46 -47.94 75.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.94 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.41 -68.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.43 -32.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -63.14 -51.31 66.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.786 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.82 -51.76 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HD3' HD21 ' A' ' 70' ' ' LEU . 14.3 mmm180 -38.22 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.04 -50.61 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -99.86 124.61 43.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.578 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.01 -15.44 20.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -64.55 -45.2 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.786 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -90.92 -22.81 20.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.31 -21.62 36.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 -1.29 35.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 152.72 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.18 172.1 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.773 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.29 137.13 21.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.967 ' HB ' HG22 ' A' ' 56' ' ' ILE . 8.3 mm -110.95 130.3 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 85' ' ' ILE . 1.1 mm -129.35 108.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.2 171.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.873 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.6 t -142.22 174.37 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.69 -15.97 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.88 -86.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.545 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.51 135.97 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.172 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 38.3 m-20 -140.2 78.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.454 ' CD ' ' HE3' ' A' ' 116' ' ' LYS . 1.1 mtm105 -60.2 -36.52 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -64.91 -39.89 94.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.644 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.79 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -64.92 -59.11 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -48.91 -30.13 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.835 ' O ' HD23 ' A' ' 102' ' ' LEU . 7.8 mttm -68.0 -50.66 54.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.565 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -53.46 -50.18 65.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.67 72.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.11 -49.11 66.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.879 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.2 mm? -39.55 -46.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.94 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.21 46.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.45 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 37.3 t30 -71.38 -49.45 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.528 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.02 115.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 10.9 p -129.44 127.04 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.7 mm? -122.93 146.73 47.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.009 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.7 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.065 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.501 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -132.91 65.78 74.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.503 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.99 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.29 19.27 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.77 93.67 4.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.16 -29.41 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.9 tm-20 -63.61 -41.24 98.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.527 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.4 -58.03 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.866 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.7 ttp -54.61 -54.36 42.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 6.9 ttmt -56.92 -57.95 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.45 -35.16 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.29 -56.2 25.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -58.42 -42.44 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -56.04 -20.44 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.42 -48.58 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.72 -31.5 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.612 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.536 HD13 ' CE ' ' A' ' 32' ' ' LYS . 2.6 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.7 138.7 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.64 132.78 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.924 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.2 120.96 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.03 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.97 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.1 p -124.84 138.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -147.07 172.04 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.1 t0 -78.89 -16.73 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.07 -51.83 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.788 ' O ' HD12 ' A' ' 21' ' ' LEU . 61.6 p -40.5 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 m -63.86 -52.44 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.0 tmm_? -64.75 -72.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.56 -31.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.5 mt -68.58 -51.4 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 19' ' ' ARG . 4.3 pp -70.5 -48.14 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -53.73 -32.78 47.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.2 m-20 -75.64 -46.78 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.686 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.1 mm? -55.29 -52.62 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.81 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.2 pt20 -59.03 -32.63 69.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.487 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 tm0? -77.57 -11.76 59.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.005 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.59 -49.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.7 49.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.005 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -77.35 158.96 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' CE ' HD13 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -80.87 -64.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -136.34 112.13 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.03 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -85.11 134.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -138.05 112.59 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.5 151.73 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -139.01 -178.06 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.29 -56.68 22.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.865 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.61 169.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.28 -111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.0 pt-20 -51.91 -52.74 47.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.756 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.647 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -37.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.13 -45.49 1.09 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.616 1.197 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.687 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 tpt -55.27 -50.77 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 0.824 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -56.39 -37.63 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.406 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.66 -44.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 59.4 mmm -66.94 -33.43 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.81 82.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.73 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.2 -176.11 0.66 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 142.88 28.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.753 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.564 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -137.83 143.77 41.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -137.01 -38.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -144.37 115.37 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.924 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -97.33 136.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.983 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.8 119.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -143.01 -175.58 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' N ' ' OG ' ' A' ' 57' ' ' SER . 38.7 p-10 -84.88 168.99 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.907 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.02 -14.87 53.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.756 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 30.4 m-80 -42.48 172.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.7 ptt? -108.58 67.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.756 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.98 -159.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.813 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.89 -31.21 70.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.435 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 25.9 mtp -152.35 122.78 7.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' LEU . 14.3 t70 -125.29 170.94 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -26.64 -38.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.66 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.73 -40.46 98.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.839 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.16 -47.86 74.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.904 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.25 -69.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -44.19 -32.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.95 -49.68 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.58 -51.03 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.598 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.2 mmm-85 -38.23 -30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.66 -49.44 9.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -101.9 123.17 44.73 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -12.35 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.53 72.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.15 -22.88 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.583 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.69 -19.16 25.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.51 -5.71 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.55 153.61 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 106' ' ' ASN . . . -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.834 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.0 134.78 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.983 ' HB ' HG22 ' A' ' 56' ' ' ILE . 5.8 mt -112.59 133.13 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.907 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -125.14 109.75 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -119.76 161.96 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.906 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -136.74 174.72 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.13 -15.0 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -122.99 -88.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.05 135.23 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 31.2 m-20 -140.28 78.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -59.92 -36.17 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.3 91.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.08 -49.81 76.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.34 -59.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -50.05 -27.75 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.65 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -69.26 -48.98 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.755 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.51 -48.27 72.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.7 91.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.79 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.904 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.9 39.24 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.53 157.37 16.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 62.7 t30 -70.83 -49.22 48.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 72.6 m-80 -165.09 117.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.834 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.2 p -127.9 128.51 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.064 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.2 mm? -120.9 147.12 45.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.013 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.92 172.03 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -134.68 65.1 65.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.96 -160.4 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.21 20.73 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.08 95.73 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.03 -26.55 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 5.4 mt-10 -63.1 -42.2 99.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.707 ' HB2' HG23 ' A' ' 113' ' ' THR . 0.9 OUTLIER -75.66 -57.14 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.85 ' O ' HG23 ' A' ' 121' ' ' ILE . 11.3 tmm? -54.77 -53.92 48.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 ttmt -57.92 -58.65 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.42 -35.05 64.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.064 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.11 -55.4 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.16 -42.02 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -56.17 -20.03 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.39 -48.79 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.234 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.597 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.3 -32.03 49.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.4 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.433 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 3.5 mp . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.69 139.89 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.53 134.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 122.73 46.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.034 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.91 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -125.01 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.97 171.82 14.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.5 t0 -77.8 -17.39 57.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 135.07 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.74 -51.94 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.6 p -39.66 -53.24 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 m -63.78 -52.83 58.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.044 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.35 -71.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.125 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.66 -30.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.125 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.6 mt -67.67 -52.28 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.084 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.33 -46.16 64.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.084 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.23 -30.9 61.65 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 14.1 m-20 -75.4 -47.19 28.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -47.36 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.684 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.78 -51.03 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.715 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.9 pt20 -61.36 -32.72 72.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 11.0 tp60 -77.04 -11.61 59.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.036 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.09 -49.1 12.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.46 50.92 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.036 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.73 162.04 28.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 mptt -80.71 -64.2 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.755 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -137.67 112.4 8.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.034 HG23 HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -86.09 133.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.15 112.89 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.044 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.33 150.35 21.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.876 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.38 -177.85 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.27 19.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.92 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.16 168.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.373 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.34 -111.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.595 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.46 -52.71 44.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.72 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.876 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.61 -45.24 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 44' ' ' MET . 2.2 tpp -55.38 -50.7 69.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.8 mtmt -56.53 -37.27 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -59.09 -44.56 91.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 mmm -66.63 -32.33 73.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.85 81.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -63.89 -63.41 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.601 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.74 -176.44 0.76 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.33 29.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.649 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -138.04 149.01 45.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.998 ' C ' HD13 ' A' ' 54' ' ' LEU . 10.7 t-160 -141.14 -50.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.89 110.7 11.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.852 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -94.28 135.03 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.11 119.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -141.54 -175.27 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 19.8 p-10 -86.78 163.66 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 1.009 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.81 -14.43 58.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.745 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 52.4 m-20 -45.61 176.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.573 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.41 68.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.745 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.01 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -59.46 -31.93 69.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.514 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.2 mtt -148.69 117.25 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 25.2 t0 -117.16 172.67 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.47 -38.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.45 -63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.55 -41.59 98.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.78 -48.33 75.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.3 tt -57.17 -69.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 1.19 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -42.7 -32.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.09 -50.24 69.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.831 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.24 -51.39 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 10.0 mmm180 -38.28 -29.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.23 -53.6 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.8 OUTLIER -94.47 123.75 57.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.91 -14.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.576 1.829 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.549 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.92 -45.27 82.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.831 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -89.88 -22.74 21.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.462 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.42 -24.95 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -98.84 -2.52 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.42 153.82 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.416 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -94.67 172.14 8.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.21 133.86 17.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 16.5 mt -109.31 130.25 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.009 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -126.81 106.64 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.01 161.7 30.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.881 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.58 174.57 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.13 -13.45 12.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -115.82 -85.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.02 134.02 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.622 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 86.3 m-20 -140.65 77.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -57.03 -34.91 68.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.97 86.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.58 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.53 -49.15 78.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.836 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.84 -59.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.41 -30.94 8.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.805 ' O ' HD23 ' A' ' 102' ' ' LEU . 31.9 mttt -67.17 -50.91 59.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.37 -50.7 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.504 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.39 -44.7 68.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.71 72.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.865 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.3 mm? -40.8 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.83 44.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.699 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.74 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.384 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 80' ' ' LYS . 2.3 t30 -71.09 -49.4 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.415 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.47 115.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.765 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -126.28 129.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.054 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.38 148.74 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.826 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -107.33 172.79 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -137.76 62.75 36.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.482 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.0 Cg_endo -74.99 -161.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.48 19.26 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.78 96.25 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.78 -26.81 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 12.3 tt0 -64.04 -40.11 95.58 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.598 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.29 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.91 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.7 ttt -55.03 -54.43 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.1 ttmt -56.28 -59.13 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.64 -36.22 66.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.054 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.42 -56.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.37 -41.68 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -56.38 -20.34 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.1 -47.71 8.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.464 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.08 -35.64 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.717 ' HE2' HD12 ' A' ' 121' ' ' ILE . 45.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HG2' ' A' ' 32' ' ' LYS . 1.4 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.58 136.99 18.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -127.04 135.71 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.91 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -115.86 122.84 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.029 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -118.16 90.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.91 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -125.29 137.57 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.478 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.41 171.95 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 t70 -78.75 -14.52 59.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.35 133.46 22.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -51.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 69.9 p -40.28 -52.55 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 m -64.34 -52.63 57.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.046 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.46 -71.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.55 -31.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.121 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.51 -51.84 46.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.44 -45.75 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.232 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.86 -31.09 60.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.0 m-20 -75.6 -47.45 26.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.31 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.0 mm? -55.68 -52.34 64.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.7 pt20 -59.19 -32.66 70.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 17.7 tt0 -78.7 -11.45 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.18 -49.88 12.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.199 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.57 47.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.582 1.176 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.08 158.8 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.84 ' HG2' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -81.64 -64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.779 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.1 mm-40 -135.43 114.41 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -87.91 133.69 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -135.21 113.21 11.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.046 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.15 149.18 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.83 -177.63 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.12 -57.2 19.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.91 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.77 168.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.73 -112.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 22.2 pt-20 -51.74 -52.47 48.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.64 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -29.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.57 -45.71 1.03 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 44' ' ' MET . 1.2 tpt -54.98 -50.52 68.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.8 mtmt -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.95 -43.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 22.6 mmt -67.54 -32.77 73.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.49 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.19 -175.88 0.66 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 141.69 27.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.58 144.96 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 1.001 ' C ' HD13 ' A' ' 54' ' ' LEU . 3.0 t-160 -137.07 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.001 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -128.67 110.86 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 HD12 ' A' ' 10' ' ' LEU . 4.5 t -95.44 133.74 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -135.49 120.33 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.7 t -141.98 -175.08 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 57' ' ' SER . 22.3 p-10 -87.91 164.56 15.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.995 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.37 -13.93 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.77 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 56.8 m-80 -45.08 176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.6 ptm -107.91 67.57 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.77 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.7 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.2 mtt -149.83 121.85 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.6 t0 -123.98 172.24 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.32 -37.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.59 -64.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.56 -39.21 97.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.809 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.5 mp -56.58 -48.39 77.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.882 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.22 -69.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.48 -31.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.07 -49.83 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.42 -51.37 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 8.0 mmm180 -37.76 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.57 -52.06 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -97.86 123.47 51.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.6 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -12.95 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.494 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -64.11 -46.24 85.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -91.79 -22.97 19.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.6 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.27 -20.35 41.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -0.78 29.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.73 154.26 19.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -95.15 172.0 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.777 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.91 134.73 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 17.5 mt -109.43 130.04 63.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.995 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.69 108.48 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.25 165.25 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.48 174.4 10.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.46 -13.88 16.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -115.52 -86.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.38 135.18 1.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.384 1.053 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 75.3 m-20 -141.61 79.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -58.76 -36.98 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -65.33 -39.83 92.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.38 -47.44 85.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.005 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.15 -60.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.499 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -50.76 -27.75 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.673 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.8 mttt -69.72 -49.43 53.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.35 -53.66 54.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.85 -48.36 70.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.58 91.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.882 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.33 40.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.72 157.21 16.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -70.55 -49.73 44.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.432 ' OD1' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.4 116.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -128.05 128.63 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.04 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -122.22 147.56 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.005 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.56 171.86 7.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.4 OUTLIER -138.18 63.79 37.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -90.35 19.41 5.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.382 1.051 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.591 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.88 96.87 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -52.14 -26.85 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mt-10 -64.26 -40.85 96.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.591 ' CB ' HG23 ' A' ' 113' ' ' THR . 11.9 tptp -74.79 -58.01 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.901 ' O ' HG23 ' A' ' 121' ' ' ILE . 3.2 ttt -55.25 -54.79 38.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -56.13 -58.32 8.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.21 -36.24 68.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.04 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.74 -56.37 22.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.8 -42.09 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.96 -20.08 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.55 -47.41 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.18 -35.35 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.725 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.4 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.627 HD13 ' HG3' ' A' ' 32' ' ' LYS . 2.0 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -152.6 129.07 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.983 HG13 HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -114.6 136.26 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.889 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -116.5 120.02 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.049 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.36 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.912 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.75 139.26 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.24 171.18 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -77.78 -16.88 58.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -142.29 134.0 26.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.82 -53.15 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.786 ' O ' HD12 ' A' ' 21' ' ' LEU . 73.7 p -38.71 -52.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -63.93 -53.5 49.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.085 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.2 tmm_? -64.48 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.117 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.07 -31.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.117 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.3 mt -67.77 -52.3 38.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.5 pp -70.98 -46.67 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -58.13 -30.72 64.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.9 m-20 -74.91 -47.76 28.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.35 69.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 ' CE2' ' A' ' 31' ' ' PHE . 1.3 mm? -56.52 -52.05 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.9 pt20 -59.41 -32.59 70.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 18.7 tp60 -74.5 -14.97 60.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -74.2 -47.75 33.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.79 52.24 0.3 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.575 1.172 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CE1' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -75.13 179.28 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.96 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -83.17 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.0 tt0 -141.63 111.65 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.049 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -86.73 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.41 115.54 9.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.085 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.04 148.37 23.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.86 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.01 -177.28 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.44 -57.61 15.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.912 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.65 168.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.35 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 16.9 pt-20 -50.9 -52.53 41.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.642 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.92 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.86 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.38 -45.28 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -55.02 -50.46 69.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' MET . 9.4 mtmt -56.42 -37.79 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -43.83 90.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.643 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 57.6 mmm -67.88 -32.5 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -62.79 -48.0 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.19 -63.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.627 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.61 -175.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 142.21 27.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.639 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -139.52 135.75 33.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -32.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.983 HD13 HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.87 119.29 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.7 t -105.24 136.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.34 118.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.14 -176.44 4.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' N ' ' OG ' ' A' ' 57' ' ' SER . 20.3 p-10 -82.12 164.03 21.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 1.005 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.86 -14.32 58.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 54.5 m-20 -44.72 175.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.4 ptt? -108.74 67.77 0.34 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.98 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.61 -35.63 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.1 mtp -146.08 120.87 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -124.1 170.77 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.576 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -28.43 -36.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.57 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.739 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.26 -39.58 97.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.861 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.44 -48.46 76.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.34 -70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -43.94 -32.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.31 -49.78 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -58.31 -51.44 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.577 ' HD3' HD21 ' A' ' 70' ' ' LEU . 15.7 mmm180 -38.26 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -87.06 -47.96 8.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -100.32 119.76 58.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.95 -14.96 21.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.27 88.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.673 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.73 -22.95 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.576 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.42 -21.26 50.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.449 ' CA ' ' HE2' ' A' ' 80' ' ' LYS . 13.1 pttt -96.72 -6.22 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.97 155.36 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.35 172.27 7.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.82 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.0 134.1 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.8 mt -110.6 132.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.005 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.76 108.34 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.26 160.68 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.861 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.53 174.61 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.38 -14.46 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -115.39 -85.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.11 135.17 1.99 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 80.1 m-20 -141.39 79.41 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -37.06 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.82 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.3 -47.97 81.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -64.58 -59.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.48 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.38 -27.23 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.666 ' O ' HD23 ' A' ' 102' ' ' LEU . 8.2 mttm -70.25 -48.93 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.374 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.79 -51.97 65.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.793 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.75 -48.8 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.29 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.25 -53.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.916 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.2 39.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.8 157.13 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.47 -48.72 47.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.494 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -164.74 116.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.82 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.7 p -126.2 129.78 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -122.28 147.75 45.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.95 172.01 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -137.64 62.9 37.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.0 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.49 19.66 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.75 96.99 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.89 -26.53 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -63.86 -40.69 97.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.587 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.24 -57.29 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.893 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.5 tmm? -55.63 -53.76 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 tttp -57.48 -58.68 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.87 -35.61 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.86 -56.01 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.893 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.23 -42.35 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.64 -20.34 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.33 -49.44 7.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.389 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.32 -31.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.577 ' HZ2' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.76 137.52 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.21 130.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -111.76 118.91 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.018 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.42 90.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.868 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.28 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.142 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.02 171.35 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.42 -9.05 58.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 1.198 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.73 136.5 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.44 -52.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.7 p -39.36 -53.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -64.02 -52.31 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.807 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.5 tmm_? -64.57 -71.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.9 -31.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -66.7 -52.09 48.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.087 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.29 -45.2 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.087 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.11 -31.76 59.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.3 m-20 -75.92 -47.13 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -47.68 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.78 -53.66 53.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.699 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.5 pt20 -58.4 -33.09 69.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -76.47 -12.31 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.51 -49.45 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.87 50.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.943 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.34 158.71 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -81.01 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -136.38 111.91 9.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.018 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -84.96 131.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 114.24 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.807 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -98.05 152.86 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.851 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.29 -177.9 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.82 -56.47 24.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.868 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.46 168.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.63 -111.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.9 pt-20 -51.45 -52.94 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.648 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.89 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.851 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.08 1.06 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.547 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -55.61 -50.63 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 12.9 mtmt -56.79 -35.43 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 50' ' ' ASN . 1.0 OUTLIER -60.0 -44.4 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.7 -33.53 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.06 75.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.92 -64.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.199 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.622 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.9 -175.51 0.57 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.02 140.54 25.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 4.3 p-80 -134.58 147.39 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -142.33 -38.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.26 115.82 7.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.817 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.29 137.58 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.963 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -138.46 118.36 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -143.24 -175.53 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.2 p-10 -88.27 171.11 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.932 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.09 -13.71 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 m120 -41.65 172.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.536 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -108.64 67.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.054 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.02 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.69 -31.57 71.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 9.9 mtp -150.08 121.69 8.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.549 1.155 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 67' ' ' LEU . 10.6 t70 -123.74 171.57 9.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.79 -39.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -73.01 -64.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -59.53 -40.69 96.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.705 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -54.98 -48.17 73.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.905 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -56.77 -68.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -43.64 -31.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -49.82 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.828 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -56.92 -49.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -38.29 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.47 -53.17 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.563 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.98 123.3 59.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.06 -14.51 20.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' CE1' ' A' ' 52' ' ' HIS . . . -67.08 -46.57 73.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.828 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -87.71 -22.51 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -55.69 -26.91 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 5.95 38.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -100.36 151.88 20.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.65 171.49 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.768 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.68 138.38 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.963 ' HB ' HG22 ' A' ' 56' ' ' ILE . 10.7 mm -109.49 131.99 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.932 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.5 mm -127.63 109.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -122.12 164.74 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.92 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.67 174.22 10.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.9 -15.24 28.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.63 -87.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.16 135.98 1.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 40.0 m-20 -140.74 79.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -34.78 76.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.64 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.82 -48.76 80.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.042 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.35 -58.88 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -52.56 -26.61 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.643 ' O ' HD23 ' A' ' 102' ' ' LEU . 16.6 mttp -69.88 -48.89 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.452 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -56.67 -53.73 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.89 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.53 -47.75 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.54 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -41.12 -52.79 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.905 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 153.13 38.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.675 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -92.3 156.58 17.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -70.76 -49.31 48.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -166.2 116.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.89 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -128.77 129.33 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.088 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -123.46 148.31 46.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.042 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.87 173.21 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.7 OUTLIER -133.75 64.36 67.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.429 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -160.26 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.443 1.76 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -94.63 19.55 9.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.551 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.91 95.06 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.12 -27.69 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.1 mm-40 -64.3 -41.31 96.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -74.97 -57.65 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.882 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -55.31 -54.78 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.5 OUTLIER -56.32 -58.41 8.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -35.36 67.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.088 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.33 -56.02 27.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.06 -41.78 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.05 -20.28 16.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.94 -48.6 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -60.56 -32.85 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.607 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.5 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.22 140.87 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.48 138.42 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.928 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.19 120.7 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.053 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.43 89.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -125.28 136.89 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.02 170.51 17.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.1 t70 -78.12 -16.4 58.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.23 134.09 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.63 -51.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.806 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.4 p -39.98 -52.95 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -63.63 -53.86 44.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.081 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.66 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.98 -30.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -66.78 -51.74 52.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.067 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.95 -46.6 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.067 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.07 -30.31 60.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.4 -50.18 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.248 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.62 83.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.2 mm? -56.03 -48.57 75.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.41 -31.28 70.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -74.59 -13.21 60.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -83.18 -48.86 10.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.5 61.38 0.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.9 p90 -76.56 171.05 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 3.1 mptt -85.02 -62.61 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -143.5 97.61 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.053 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.5 139.33 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -140.22 115.28 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.081 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.45 146.66 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.65 -177.45 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -57.98 15.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.94 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.01 168.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.89 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.578 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.7 pt-20 -51.86 -52.3 50.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.628 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.2 mm-40 -37.46 -29.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.07 -45.15 1.04 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.462 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 1.2 tpt -55.47 -50.55 69.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.3 mtmt -56.48 -37.04 69.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.06 -45.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.649 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.5 mmm -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.63 82.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -64.46 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.0 -177.55 0.97 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 145.14 30.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.598 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.6 OUTLIER -138.17 148.23 44.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.633 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -140.81 -40.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 3.9 tp -139.76 111.02 7.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.826 HG13 HD12 ' A' ' 10' ' ' LEU . 2.8 t -96.11 134.87 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -136.72 121.37 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.6 t -142.75 -175.06 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.55 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.7 p-10 -86.03 162.9 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 1.053 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.71 -14.9 58.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.724 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 72.3 m-20 -46.78 176.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.2 ptt? -108.83 69.38 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.13 -160.11 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -58.86 -32.58 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 69' ' ' LEU . 2.9 mtt -148.34 118.52 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 67' ' ' LEU . 23.2 t70 -118.78 173.11 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.21 -38.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.21 -64.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 0.72 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.31 -41.85 98.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.71 -47.51 76.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.4 tt -57.31 -69.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -42.77 -31.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.89 -49.75 69.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.91 -51.01 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.649 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.4 mmm180 -38.03 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -88.4 -48.64 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.623 ' HB3' HG22 ' A' ' 79' ' ' THR . 7.5 m-20 -86.29 118.41 70.3 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.635 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.98 -12.69 21.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' ' CE ' ' A' ' 81' ' ' LYS . . . -72.57 -47.99 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.734 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.95 -17.2 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -49.75 -29.87 8.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.53 ' CE ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -103.33 -8.84 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.592 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -82.1 144.61 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.487 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -92.46 172.27 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.32 134.37 16.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.992 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.7 mt -109.9 129.74 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.053 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -125.51 105.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.893 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.73 163.03 28.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.893 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.65 174.53 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.21 -12.88 14.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.14 -86.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.182 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.49 ' N ' HG23 ' A' ' 88' ' ' THR . . . 152.23 133.62 1.97 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.628 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 71.0 m-20 -141.12 78.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 93' ' ' ARG . 12.4 mtm105 -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 98' ' ' LYS . . . -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -60.87 -50.2 74.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.06 -59.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.527 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -49.68 -31.21 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.792 ' O ' HD23 ' A' ' 102' ' ' LEU . 5.1 mttp -66.88 -50.23 63.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.99 -50.63 63.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.23 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.46 -48.54 64.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.859 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -40.05 -45.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 136.72 46.23 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.92 157.55 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.2 t-20 -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.05 115.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.778 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -128.11 128.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.076 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -124.26 145.33 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.84 171.89 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CB ' ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.12 63.03 48.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.419 1.747 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.52 19.62 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.05 96.46 5.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.459 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.0 -26.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.1 tt0 -64.4 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.583 ' CB ' HG23 ' A' ' 113' ' ' THR . 8.1 tptt -74.89 -56.82 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.916 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.3 tmt? -55.79 -55.1 36.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 5.6 tttp -56.21 -58.12 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.49 -36.44 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.076 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.51 -57.15 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.13 -41.96 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.05 -19.45 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.51 -49.28 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.95 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.722 ' HE2' HD12 ' A' ' 121' ' ' ILE . 38.4 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.648 HD13 ' HD2' ' A' ' 32' ' ' LYS . 2.2 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.91 135.11 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.895 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -123.54 135.23 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.69 119.3 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.035 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.66 90.61 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -126.04 136.03 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -145.0 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 7.8 t0 -78.67 -13.08 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -146.49 134.52 21.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.76 -52.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 66.4 p -40.21 -52.39 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -53.08 54.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.099 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.8 tmm_? -64.37 -71.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.47 -31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.44 -52.12 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.094 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -69.97 -45.68 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.094 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.38 -31.17 62.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.1 m-20 -75.53 -46.75 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 1.4 mm? -55.02 -48.67 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.531 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.0 pt20 -62.93 -32.01 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.4 tt0 -76.38 -12.29 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.075 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.043 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.4 -49.25 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 131.09 53.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.404 1.065 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.043 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.97 157.16 33.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.648 ' HD2' HD13 ' A' ' 7' ' ' ILE . 1.5 mmtt -77.14 -64.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.797 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.1 mm-40 -135.52 111.82 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 HD11 ' A' ' 11' ' ' ILE . 1.3 mt -86.98 132.92 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 113.53 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.099 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.86 149.78 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.896 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.66 -177.96 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.23 -56.94 20.88 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.909 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.64 168.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.08 -110.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -51.98 -53.19 44.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.637 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.8 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.896 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.68 -46.15 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tpp -54.65 -50.85 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' MET . 7.8 mtmt -56.17 -36.81 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -60.27 -43.53 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.648 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.6 mmm -68.04 -32.86 73.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.33 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.67 -62.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.33 -177.0 0.82 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 141.74 27.04 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.604 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 3.3 p-80 -135.97 143.49 44.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -134.79 -38.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -144.78 118.46 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.4 t -98.59 139.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.11 119.07 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -143.16 -174.54 4.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.0 p30 -89.7 171.16 9.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.84 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.43 -14.37 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.767 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 20.9 m-20 -41.85 173.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.43 67.46 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.767 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.03 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.43 -31.86 71.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.5 mtp -149.74 122.1 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.39 1.056 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 67' ' ' LEU . 17.2 t0 -124.55 172.01 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.23 -39.58 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.451 1.095 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.4 mm? -72.36 -63.78 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.58 -41.11 98.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.829 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -54.88 -48.63 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -58.54 -69.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -43.45 -32.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.29 -51.03 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -57.63 -50.89 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.596 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.3 mmm-85 -37.64 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.32 -50.02 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.1 m-20 -101.09 123.28 45.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -14.7 21.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.61 -46.89 83.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.19 -23.21 22.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.54 -19.55 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -4.56 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.94 148.25 23.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 172.77 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.795 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.64 137.57 22.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.959 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.6 mm -109.64 131.98 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.84 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.3 mm -126.65 108.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.929 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -118.48 162.97 17.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.929 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.83 173.92 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.43 -14.24 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.09 -89.01 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.552 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.04 133.96 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.851 ' HB3' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -141.63 79.32 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.474 ' NH1' HG21 ' A' ' 113' ' ' THR . 1.8 mtm180 -61.09 -38.25 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.508 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -62.7 -34.93 78.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.851 HD23 ' HB3' ' A' ' 92' ' ' ASP . 4.6 mm? -67.2 -48.33 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.032 ' CG2' ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.56 -61.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.506 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -48.98 -29.75 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.22 -52.78 36.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -51.31 -56.26 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 1.044 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -35.3 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -66.61 -53.25 36.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.695 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.1 mt -39.14 -56.94 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.789 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.01 43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.585 1.178 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.986 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.97 154.9 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.43 -50.69 29.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.535 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -166.27 115.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 1.044 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -129.86 127.66 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -121.96 150.22 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.032 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . . . -110.62 171.26 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -129.72 69.88 81.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.438 ' HG3' ' CD ' ' A' ' 93' ' ' ARG . 18.1 Cg_endo -74.98 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -96.39 21.86 8.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.909 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -127.03 99.34 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.4 pp -50.22 -28.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.2 mt-10 -63.2 -40.57 97.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.909 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.4 mmtt -74.64 -58.73 3.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.209 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.927 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 ttt -55.29 -55.05 35.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 13.0 tttt -55.43 -58.19 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.69 -37.35 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.13 -56.63 19.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -57.88 -41.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.74 -20.4 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.08 -49.36 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -59.4 -37.39 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.724 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.9 m-85 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.454 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.6 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.57 137.88 28.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.844 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.37 136.02 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.65 120.72 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.041 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.52 89.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -124.59 136.89 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -145.91 171.75 14.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.226 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.89 -4.6 53.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -155.57 134.32 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.25 -51.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 12.6 p -40.29 -53.02 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.3 m -63.99 -53.1 55.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.778 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.26 -71.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.6 -31.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.5 mt -67.01 -51.92 48.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.78 -45.68 64.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.076 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.62 -31.53 60.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.0 m-20 -75.69 -47.15 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -47.54 68.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.73 -53.05 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.778 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.6 pt20 -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 32.2 tp60 -76.5 -13.17 60.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.004 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.24 -49.66 12.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 134.88 51.94 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.004 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.67 161.51 28.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mptt -81.09 -63.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -138.72 109.07 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.041 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.62 131.65 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.11 112.86 10.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.778 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 151.74 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.85 -178.28 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -56.8 22.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.884 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.74 168.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 0.785 . . . . 0.0 109.378 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.33 -110.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.5 pt-20 -51.62 -53.41 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.649 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 1.3 mm-40 -38.21 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.17 -45.2 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -55.32 -50.62 69.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 111.022 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 44' ' ' MET . 0.1 OUTLIER -56.6 -37.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -59.34 -44.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.655 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.3 mmm -67.99 -33.14 74.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.4 83.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -64.33 -63.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.593 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.43 -176.67 0.78 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 143.33 28.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.592 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -136.89 142.01 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -132.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.73 118.44 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.902 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.1 t -98.76 138.4 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.991 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.01 119.12 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.544 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.3 t -142.91 -175.24 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.544 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.9 p-10 -89.72 171.7 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.941 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.33 -13.27 55.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 111.046 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.766 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 m120 -41.61 171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.533 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.67 67.28 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.01 -159.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.18 -31.58 72.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 6.6 mtp -149.79 123.28 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.664 ' O ' ' N ' ' A' ' 67' ' ' LEU . 22.6 t0 -126.8 171.46 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.38 -39.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.65 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.69 -40.05 97.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.813 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.32 -48.03 74.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.93 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.05 -69.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.73 -32.18 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.09 -50.41 66.23 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.4 -51.34 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.56 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -85.54 -52.57 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.47 121.81 64.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.03 -14.91 20.94 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.79 -45.89 80.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -88.98 -23.23 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.11 -21.05 44.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.91 0.03 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.53 149.01 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -93.07 171.93 8.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.804 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.97 135.53 19.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.991 ' HB ' HG22 ' A' ' 56' ' ' ILE . 20.7 mt -108.76 132.16 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.941 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.9 mm -126.47 110.33 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.904 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.27 166.23 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.904 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.7 t -141.15 174.64 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.48 -17.4 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.561 ' H ' HG23 ' A' ' 88' ' ' THR . 1.2 mt-30 -120.65 -86.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 88' ' ' THR . . . 162.03 136.62 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 29.8 m-20 -140.57 79.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 0.8 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -59.63 -35.71 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.326 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.4 92.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -59.05 -48.39 81.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.81 -59.4 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.476 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -51.4 -26.58 8.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.677 ' O ' HD23 ' A' ' 102' ' ' LEU . 3.0 mttt -70.1 -49.24 52.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.64 -53.74 54.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.57 -47.45 73.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.53 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.93 -51.93 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.93 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.3 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.64 157.44 15.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.6 t-20 -70.46 -50.17 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.5 116.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.906 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -127.51 128.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -120.49 148.18 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.29 172.66 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.1 OUTLIER -137.4 64.61 46.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -160.68 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -91.85 19.93 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -122.13 95.83 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -50.98 -27.01 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.6 mm-40 -64.26 -41.0 97.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.561 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.44 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.917 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 tmt? -55.11 -54.29 45.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -57.05 -58.44 8.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.52 -36.95 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.21 -57.25 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -58.86 -41.73 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.97 -19.98 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.35 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.87 -47.94 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.87 -35.95 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.735 ' HE2' HD12 ' A' ' 121' ' ' ILE . 41.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.66 HG21 ' HD3' ' A' ' 32' ' ' LYS . 3.7 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.0 140.34 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.815 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.92 134.66 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.02 121.34 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.055 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.22 90.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.886 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -124.0 137.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.4 171.63 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.532 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 2.1 t0 -74.54 -22.92 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 138.24 35.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.48 -52.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.9 p -38.21 -53.05 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 m -63.88 -53.51 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.786 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.03 -71.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.98 -31.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.8 mt -67.17 -51.65 51.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -71.1 -45.23 64.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.51 -31.55 63.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.6 m-20 -75.85 -47.06 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.78 68.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.69 -53.52 55.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 9.1 pt20 -58.85 -33.07 70.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.6 tm0? -75.55 -11.92 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.22 -49.5 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.5 50.97 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -75.43 159.62 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HG21 ' A' ' 7' ' ' ILE . 4.5 mptt -80.83 -63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -137.68 111.65 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.055 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -84.86 132.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.85 113.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.786 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.88 151.24 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.12 -177.59 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.2 -57.03 20.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.886 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.99 168.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.216 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -110.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.8 pt-20 -51.53 -53.26 39.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.643 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.97 -28.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.25 -45.38 1.09 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.25 -50.85 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 10.9 mtmt -56.25 -37.42 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.602 1.189 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -44.52 91.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 51.6 mmm -67.03 -33.29 75.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.68 83.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -64.41 -63.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.604 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.37 -176.37 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.01 143.24 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.628 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -138.12 143.46 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 7' ' ' ILE . 10.5 t-80 -136.02 -39.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -143.25 117.27 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -98.51 138.29 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.54 118.61 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.98 -175.28 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.1 p-10 -87.51 171.52 10.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.918 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.71 -14.61 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 27.3 p-10 -40.88 171.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.16 68.26 0.31 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.02 -159.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.46 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.421 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 31.1 mtp -149.37 122.41 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 67' ' ' LEU . 9.0 t70 -125.43 172.39 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.1 -39.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.71 -64.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.42 -39.94 96.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.828 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.6 -48.43 74.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.912 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.77 -69.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.88 -31.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 110.23 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.4 70.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.63 -51.71 69.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.592 ' HD3' HD21 ' A' ' 70' ' ' LEU . 16.3 mmm180 -37.74 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.86 -51.47 6.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.6 m-20 -96.6 123.18 55.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.01 -15.06 20.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -64.09 -46.81 82.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.52 -23.01 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.436 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.2 -21.72 24.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.19 1.64 33.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.53 146.03 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.32 172.12 8.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.817 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.26 135.72 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.016 ' HB ' HG22 ' A' ' 56' ' ' ILE . 21.0 mt -108.92 132.16 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.918 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.6 mm -125.99 109.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.67 163.84 17.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.94 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.07 174.72 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -64.08 -13.35 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.11 -89.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 88' ' ' THR . . . 167.42 134.3 1.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 33.3 m-20 -140.9 79.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -62.49 -36.94 84.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.7 91.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 0.3 OUTLIER -59.11 -49.96 75.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -62.8 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.81 -27.03 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.0 mttm -69.99 -49.18 54.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.5 -53.63 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.887 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.38 -48.07 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.19 89.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -40.9 -53.67 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.912 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 154.09 39.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.422 1.076 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.59 157.33 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.08 -49.4 44.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.454 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -166.37 115.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.32 129.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.399 1.062 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.077 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.57 149.74 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.74 171.54 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.498 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -131.44 67.02 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.577 1.83 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.41 19.49 9.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -123.14 97.8 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.61 -26.92 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.5 mt-10 -64.24 -40.73 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.56 ' CB ' HG23 ' A' ' 113' ' ' THR . 2.2 tmtm? -75.43 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.823 ' O ' HG23 ' A' ' 121' ' ' ILE . 7.2 tmm? -55.29 -53.75 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -57.53 -58.91 6.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.49 -36.02 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.077 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.79 -55.07 39.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.93 -42.06 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -56.23 -20.77 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.75 -41.37 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.529 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.09 -32.07 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.589 ' HE2' HD12 ' A' ' 121' ' ' ILE . 48.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.434 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.76 141.26 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.52 131.15 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.91 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -112.98 122.01 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.051 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.47 90.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.4 137.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.4 t0 -79.38 -9.14 59.53 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.497 1.123 . . . . 0.0 109.381 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -149.03 132.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.71 -51.82 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 68.4 p -40.14 -53.28 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.8 m -64.3 -52.5 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 1.056 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.6 tmm_? -64.11 -71.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.06 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.4 mt -66.35 -51.94 52.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.083 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.32 -45.54 66.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 1.083 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.34 -30.78 61.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.92 -47.41 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 -47.75 68.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.16 -51.09 67.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 34' ' ' ILE . 4.1 pt20 -60.84 -32.68 72.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.5 -12.78 60.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.002 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.02 -49.58 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.75 53.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.002 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.1 m-30 -75.67 160.64 29.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.92 -63.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.737 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.6 tp60 -138.06 111.21 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.051 HG23 HD11 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -84.71 133.14 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.08 112.45 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.056 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.8 151.03 20.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.63 -177.94 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -57.27 19.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.881 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.19 168.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.44 -112.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.6 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -52.2 -52.37 52.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.633 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.7 -29.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.865 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.83 -45.62 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.677 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -55.24 -50.62 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.1 mtmt -56.69 -37.61 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.404 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.65 -43.48 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.5 mmm -67.42 -33.86 76.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.7 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -64.56 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.11 -175.85 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 142.63 28.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.5 p-80 -139.14 143.83 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -138.0 -37.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -142.96 114.79 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.3 t -98.19 137.03 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.39 119.01 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -142.61 -175.48 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 30.0 p-10 -84.14 165.92 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.937 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.23 -13.88 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 2.5 m-20 -44.97 175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.565 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptt? -108.79 67.92 0.34 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.09 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.63 -31.16 70.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.448 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 5.1 mtp -152.11 121.84 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.2 t0 -123.64 170.71 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.6 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.32 -37.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.57 -64.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.56 -40.36 97.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.81 -47.65 76.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.928 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.21 -69.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -43.94 -32.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.79 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.587 ' HD3' HD21 ' A' ' 70' ' ' LEU . 18.3 mmm-85 -37.96 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.82 -52.2 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -97.68 123.69 51.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.0 -14.26 21.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.8 -47.53 80.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.08 -23.09 22.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.588 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.03 -18.55 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -1.73 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.59 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.6 147.48 25.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.02 172.22 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.776 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.86 135.35 18.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG22 ' A' ' 56' ' ' ILE . 22.5 mt -110.46 132.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.937 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.51 108.63 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.211 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.06 162.38 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.894 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -137.47 174.6 10.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.64 -15.18 10.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -117.33 -86.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.55 ' N ' HG23 ' A' ' 88' ' ' THR . . . 157.79 136.09 2.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.084 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.589 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 65.1 m-20 -140.94 79.2 1.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -58.68 -37.61 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.51 97.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.21 -48.64 79.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -62.85 -58.93 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -51.65 -27.25 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 23.0 mttt -69.63 -48.66 59.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -57.01 -51.73 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.698 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -54.05 -49.37 69.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.6 88.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.12 -53.06 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.928 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.01 39.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.664 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.23 157.51 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.85 -48.78 52.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.481 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -165.88 115.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.363 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.776 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -125.77 129.45 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.017 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.9 mm? -122.12 148.11 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.66 172.11 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -137.95 62.8 35.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.479 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 19.64 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.86 96.17 4.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -27.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -63.49 -41.08 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CB ' HG23 ' A' ' 113' ' ' THR . 4.0 tptt -74.96 -57.83 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.906 ' O ' HG23 ' A' ' 121' ' ' ILE . 8.7 tmm? -55.25 -54.68 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.1 tmtt? -56.38 -58.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.213 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.63 -36.34 66.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 1.017 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.79 -56.18 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.78 -41.28 79.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.5 -19.67 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.42 -48.15 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.74 -36.25 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' ' 121' ' ' ILE . 44.2 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ptm . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.53 0.205 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.81 -38.85 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.14 -166.69 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.71 ' HB1' ' CG ' ' A' ' 32' ' ' LYS . . . -53.29 -21.11 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' ALA . 20.3 tt0 -36.09 -50.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.191 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -54.31 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.692 HD13 ' HD3' ' A' ' 32' ' ' LYS . 2.8 mp -79.09 131.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.67 140.15 22.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.29 138.79 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.56 120.29 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.102 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.96 89.8 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.917 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.41 137.41 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -148.19 170.95 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.9 t0 -78.73 -11.03 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 136.29 19.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.89 -51.5 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.834 ' O ' HD12 ' A' ' 21' ' ' LEU . 70.0 p -39.91 -53.03 2.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -63.76 -53.77 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.77 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.3 tmm_? -63.94 -71.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.16 -31.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -65.87 -51.86 55.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -70.59 -46.31 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.072 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.08 -30.99 61.26 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 11.0 m-20 -75.08 -49.81 18.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.8 83.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -55.77 -48.79 74.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -59.71 -31.86 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.628 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 9.9 tt0 -73.93 -11.52 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.0 -48.5 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 119.82 61.57 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.997 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.3 p90 -76.72 171.51 14.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.71 ' CG ' ' HB1' ' A' ' 4' ' ' ALA . 3.9 tptt -85.06 -63.18 1.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.8 tt0 -143.24 97.36 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.102 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -72.39 139.66 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.42 115.41 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.77 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.68 147.81 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.76 -176.97 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.59 -57.44 17.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.917 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.72 168.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.61 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.2 pt-20 -51.43 -52.78 43.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.54 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.54 -44.89 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.589 1.181 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.568 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.29 -50.44 69.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -56.36 -37.77 70.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -44.74 90.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 58.4 mmm -67.44 -32.06 72.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.47 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.19 -62.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.54 -177.75 1.0 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.581 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 2.4 p-80 -136.59 147.43 46.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -140.37 -40.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.566 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 9.6 tp -140.1 111.86 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.68 135.8 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.99 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.71 120.43 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.76 -175.31 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' N ' ' OG ' ' A' ' 57' ' ' SER . 32.2 p-10 -86.72 167.55 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.924 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.52 -14.63 54.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 55.9 m-20 -43.71 174.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -108.35 67.53 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -74.91 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.34 -32.04 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.453 ' HB3' HD12 ' A' ' 69' ' ' LEU . 16.1 mtp -151.32 122.74 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -125.23 171.74 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.17 -37.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.74 -39.82 97.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.838 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.24 -47.44 78.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.471 0.748 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.69 -69.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -43.8 -32.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.96 68.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.04 -51.11 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 11.7 mmm180 -37.66 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.74 -49.99 7.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -100.21 123.09 48.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.596 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.1 -16.3 20.05 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -47.03 86.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.751 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.84 -23.55 22.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -60.04 -19.7 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -98.47 -6.68 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.5 155.11 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -98.08 172.06 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.819 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.2 136.27 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.99 ' HB ' HG22 ' A' ' 56' ' ' ILE . 6.5 mt -111.67 132.56 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.924 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.56 109.36 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -126.07 167.58 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.856 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -138.47 174.75 10.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 110.445 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -57.85 -16.06 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -118.71 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.47 135.59 1.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.661 ' HB3' HD23 ' A' ' 95' ' ' LEU . 53.8 m-20 -140.94 78.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -60.9 -37.13 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' A' ' 92' ' ' ASP . 3.4 mm? -67.6 -47.93 68.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.999 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.52 -59.99 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.486 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -50.62 -27.51 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.705 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -69.05 -48.83 61.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.83 -51.55 68.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.91 -48.63 72.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.86 92.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -41.07 -52.81 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.02 39.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.04 157.72 15.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 0.736 . . . . 0.0 109.353 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.9 t30 -70.49 -49.04 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.72 115.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.819 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.8 p -125.7 128.64 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.079 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -121.63 148.16 44.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.999 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.11 171.69 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.91 62.32 39.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.03 -160.45 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -94.01 19.14 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -120.1 96.95 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.29 -27.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -63.81 -40.85 97.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.594 ' CB ' HG23 ' A' ' 113' ' ' THR . 3.1 tppt? -75.44 -57.68 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.886 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -54.96 -54.23 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 20.4 tttt -57.3 -58.43 8.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -34.99 66.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.079 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.54 -56.79 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.99 -42.42 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.01 -19.32 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.784 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.75 -49.06 7.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.622 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -61.47 -29.73 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.68 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 -91.89 -14.08 30.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -140.6 -80.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.784 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.2 99.14 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -61.1 -71.11 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.45 0.167 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -82.24 -43.55 17.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -145.89 -166.7 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 33' ' ' GLN . . . -53.62 -20.25 4.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -38.73 -47.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -80.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.528 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -67.16 129.03 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.99 136.57 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.61 138.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -117.3 119.69 35.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.027 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.35 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.885 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.3 p -125.4 135.97 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.69 171.67 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.82 -10.76 59.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -148.04 134.0 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.628 HG12 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -51.45 -51.56 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 62.2 p -40.4 -53.26 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -64.38 -52.18 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.06 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -63.73 -71.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.122 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.122 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.02 -51.01 60.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.079 HD12 ' N ' ' A' ' 23' ' ' GLY . 2.9 pp -69.89 -44.02 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.079 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.58 -31.61 63.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.78 -47.7 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -48.26 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -55.19 -53.12 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 10.6 pt20 -57.83 -31.6 66.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.0 tt0 -77.31 -11.74 59.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -84.09 -49.85 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 149.11 49.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.37 1.044 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.711 ' CD1' ' HA ' ' A' ' 27' ' ' GLN . 4.3 p90 -70.99 137.67 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG2' HD13 ' A' ' 7' ' ' ILE . 4.5 mptt -84.77 -49.73 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.3 tp60 -145.37 96.81 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.72 133.13 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.86 113.6 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.06 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.16 148.43 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -134.19 -177.9 4.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.16 -57.18 20.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.885 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.03 168.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.6 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.25 -111.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.537 1.148 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.6 pt-20 -52.32 -52.45 53.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.05 -45.25 1.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.4 -50.42 69.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.95 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.75 -44.08 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.604 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.56 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -63.38 -48.13 79.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.63 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.39 -175.07 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.9 140.68 26.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -131.74 137.49 48.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 0.0 109.621 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -132.81 -39.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 11.6 tp -146.2 112.77 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.847 HG13 HD12 ' A' ' 10' ' ' LEU . 3.1 t -95.65 135.07 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.989 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.31 119.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -141.38 -175.16 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' N ' ' OG ' ' A' ' 57' ' ' SER . 14.1 p-10 -86.86 164.85 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.237 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.998 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.54 -14.41 56.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.758 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 65.8 m-20 -45.77 176.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.1 ptp -108.07 68.13 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.758 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.01 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.67 -30.36 69.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.451 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 4.1 mtt -152.15 122.19 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.9 t70 -124.11 171.76 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.75 -37.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.37 -64.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.91 -39.92 97.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.783 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.05 -48.16 76.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.1 tt -57.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -42.86 -32.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.19 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.45 66.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.798 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.66 -51.21 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.83 -30.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.54 -51.05 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -99.82 124.42 44.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -14.46 21.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -63.93 -47.45 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.58 -23.08 23.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.19 -19.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 -3.03 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.19 155.43 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -97.39 171.62 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.751 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -151.07 134.93 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.989 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.55 130.05 63.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.998 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -128.08 108.4 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.865 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.32 166.01 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.865 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.83 174.57 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.79 -13.9 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -115.71 -87.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.12 133.9 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.498 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 34.9 m-20 -141.13 78.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD3' ' CD ' ' A' ' 116' ' ' LYS . 54.9 mtm180 -57.59 -37.9 73.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.83 92.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -60.07 -48.08 83.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.983 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.24 -61.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.524 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -49.3 -28.42 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.7 mttm -69.16 -48.99 60.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.66 -53.45 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.783 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -53.67 -48.66 69.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.75 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.61 -53.41 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.64 39.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.705 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.24 157.67 15.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 5.2 t-20 -70.55 -50.9 32.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 9.2 m-80 -164.95 115.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -127.33 130.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.099 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -124.13 147.9 47.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.983 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.0 172.03 7.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -136.63 63.73 48.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.06 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -92.47 19.55 7.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -121.48 96.9 5.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -26.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 32.1 tt0 -64.29 -40.17 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.176 . . . . 0.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.595 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -75.27 -57.92 3.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.785 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.3 ttt -55.51 -53.04 61.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 9.1 ttpt -58.11 -58.88 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -35.67 67.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.099 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.6 -55.47 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -56.85 -42.5 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.18 -20.51 18.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 127' ' ' ALA . . . -88.87 -45.81 9.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.61 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -62.55 -29.93 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.61 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 -91.07 5.92 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.45 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 123' ' ' ALA . . . -74.79 -167.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.736 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -85.87 -78.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 129' ' ' LYS . 15.1 pttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.542 0.21 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -83.54 -40.71 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -144.21 -165.84 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' ILE . . . -54.07 -20.9 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.0 tm-20 -36.06 -45.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -36.43 -36.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 4' ' ' ALA . 4.1 mp -78.25 137.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.62 138.59 21.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.78 134.89 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 119.7 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.043 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.43 90.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.882 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.2 p -124.59 138.41 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -149.35 170.92 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.567 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -74.1 -21.43 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 138.07 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -52.15 -52.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.794 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.0 p -38.42 -52.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 m -64.19 -52.84 56.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.789 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.29 -31.86 0.09 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -66.84 -51.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.06 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -70.64 -45.16 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.06 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.71 -31.7 60.94 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -75.33 -48.13 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -48.23 69.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.71 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.4 mm? -54.72 -52.79 61.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.3 pt20 -59.95 -32.38 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -77.67 -11.68 59.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.66 -49.94 10.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.2 50.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.89 158.82 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 tt0 -137.32 111.47 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.043 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -83.94 133.3 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.73 113.2 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.789 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.98 150.45 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.3 -177.74 4.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.28 -56.97 21.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.882 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.32 168.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.81 -110.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.589 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.38 -53.27 38.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.286 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.1 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.79 -45.85 1.08 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.46 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -54.64 -50.66 67.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 11.2 mtmt -56.75 -37.31 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -59.1 -43.73 89.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.0 mmm -67.55 -33.29 74.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 111.046 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.37 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.09 -63.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.603 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.26 -176.48 0.71 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -136.4 144.52 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -137.21 -38.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -145.21 119.59 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -99.25 139.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.13 119.32 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -143.23 -175.71 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.4 t0 -89.39 172.25 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.983 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.5 -14.77 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 18.7 p-10 -42.21 172.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.539 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.03 68.74 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.99 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -63.13 -31.79 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.466 ' O ' HD13 ' A' ' 69' ' ' LEU . 14.4 mtp -148.1 117.08 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 67' ' ' LEU . 37.4 t0 -118.43 171.92 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.63 -39.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.86 -63.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.4 -41.28 98.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.802 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -56.14 -47.59 77.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.944 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -58.24 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -43.81 -31.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -50.0 69.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.811 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.88 -51.15 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.4 mmm180 -38.12 -30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.24 -53.32 5.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -95.18 123.71 56.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.0 -13.57 21.37 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -65.98 -46.22 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.811 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.43 -22.44 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.368 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.61 -23.3 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 0.93 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.62 145.54 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.11 172.09 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.764 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.6 138.65 23.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.4 mm -110.55 131.81 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.983 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.9 mm -128.25 109.73 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.64 168.72 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.9 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -140.84 174.86 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.445 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.467 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.78 -16.43 16.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -123.21 -86.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.42 134.73 1.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.545 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 21.8 m-20 -140.05 78.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -59.76 -33.45 71.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -57.63 -50.27 73.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.988 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -61.96 -58.8 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.488 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -50.1 -28.91 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.767 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.34 -51.24 54.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -52.81 -50.86 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.3 -43.04 70.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.21 -48.83 66.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.861 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -39.41 -44.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.944 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.08 44.39 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.12 158.17 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.24 -48.83 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.591 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.8 OUTLIER -166.43 116.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.764 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 9.8 p -128.9 127.28 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.141 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.34 148.21 45.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.988 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.08 172.5 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -132.42 64.33 71.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.99 -160.1 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.04 19.89 12.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.073 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.572 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.67 96.42 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.408 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.81 -27.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 9.7 mt-10 -64.16 -41.19 97.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.33 -57.53 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.928 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -55.15 -54.77 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 ttmm -56.49 -58.56 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.61 -35.36 65.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.141 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -59.42 -56.08 26.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.23 -42.01 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.75 -20.39 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.741 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.89 -48.82 7.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.56 -32.45 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.617 ' HE2' HD12 ' A' ' 121' ' ' ILE . 16.5 m-30 -88.8 -11.48 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.77 -80.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.741 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -76.94 99.13 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.508 ' CA ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -63.57 -72.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mtm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.532 0.206 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.36 -40.28 23.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.95 HD12 ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -147.59 -166.0 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.668 ' HB1' ' CG ' ' A' ' 32' ' ' LYS . . . -55.63 -21.25 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.718 ' CB ' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -34.82 -51.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' GLU . 2.1 tptt -38.78 -36.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 4' ' ' ALA . 4.1 mp -71.09 142.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -151.23 141.78 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.05 137.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -118.96 119.18 33.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.094 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.61 90.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.918 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.5 p -125.46 137.17 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.82 171.21 16.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -78.63 -17.52 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.34 134.02 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.04 -52.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.5 p -39.69 -52.03 2.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.16 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.4 m -64.07 -53.97 41.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.066 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.75 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.25 -30.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.1 mt -67.0 -51.87 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.75 -46.2 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.3 -31.7 62.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 17.6 m-20 -74.74 -49.07 22.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.43 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -56.13 -48.47 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.35 -31.66 70.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.617 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 5.4 tt0 -73.6 -10.98 60.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.75 -47.94 9.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.75 61.07 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.6 p90 -76.19 172.85 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.668 ' CG ' ' HB1' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -86.02 -63.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.5 tt0 -143.15 97.33 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.094 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.01 140.54 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.66 116.2 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.436 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.066 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.65 146.74 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.885 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -132.01 -177.07 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -57.27 17.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.918 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.22 168.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 0.787 . . . . 0.0 109.351 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.18 -112.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.2 pt-20 -50.58 -52.43 39.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.635 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.09 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.885 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.61 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -57.08 -36.15 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.64 -44.91 94.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.619 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.03 -32.92 74.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.43 77.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.69 -63.83 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.624 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.37 29.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.659 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.44 145.3 45.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.665 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -141.13 -40.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 1.4 tp -141.05 111.42 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -96.11 136.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.37 120.11 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.0 t -142.09 -175.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.937 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.9 p-10 -86.14 163.13 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.966 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.07 -14.61 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.749 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 75.9 m-20 -46.03 176.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.581 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.8 ptt? -108.4 68.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.749 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.1 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.552 1.817 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.12 -30.92 70.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 18.2 mtp -150.94 119.84 6.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.8 t0 -120.13 172.46 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.79 -37.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.616 1.198 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.32 -63.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.86 -41.88 99.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.724 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -54.66 -48.79 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.937 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.31 -69.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -42.7 -31.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.39 66.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.063 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.803 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.64 -50.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.651 ' HD3' HD21 ' A' ' 70' ' ' LEU . 22.4 mmm-85 -38.01 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 110.197 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.83 -53.38 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.95 123.95 55.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.507 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -11.8 21.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.599 1.841 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.559 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -67.22 -45.92 75.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.803 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.7 -22.47 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.81 -20.63 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.14 3.79 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.24 154.63 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.434 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -96.0 170.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.745 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.3 134.49 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.13 130.31 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.966 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.64 106.87 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -129.65 162.39 28.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.884 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.71 174.47 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.62 -15.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.94 -85.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 88' ' ' THR . . . 159.35 136.23 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.618 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 76.2 m-20 -141.28 77.88 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -57.29 -36.34 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 98' ' ' LYS . . . -65.09 -39.97 93.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.59 -49.48 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.814 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.34 -60.08 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.526 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 25.0 mttt -67.52 -49.6 62.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -54.14 -51.92 62.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.63 -42.41 67.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.73 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 70' ' ' LEU . 3.0 mm? -40.29 -45.92 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.937 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.79 46.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.406 1.066 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.83 157.98 15.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.3 t30 -71.11 -49.58 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.34 115.44 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.745 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.7 p -127.25 129.94 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.027 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.7 146.78 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.814 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.19 171.74 7.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.2 OUTLIER -138.28 62.69 32.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -160.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.26 19.13 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.6 95.62 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.93 -26.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 8.1 tt0 -64.33 -41.2 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.556 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.04 -57.93 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' ILE . 9.6 tmm? -54.84 -53.91 49.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.3 ttmm -57.52 -58.47 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.99 -35.37 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.027 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.55 -56.77 17.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.15 -42.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.83 -20.77 16.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.787 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -86.74 -49.29 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.627 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.6 -30.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.627 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 -91.55 -18.57 23.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.503 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -134.57 -81.66 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.467 1.104 . . . . 0.0 111.061 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.787 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -76.84 99.79 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.726 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -56.08 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.472 ' CB ' ' HB2' ' A' ' 6' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.499 0.19 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -82.12 -35.36 28.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -140.75 -165.75 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.737 ' HB1' ' HG2' ' A' ' 32' ' ' LYS . . . -53.87 -21.03 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' ALA . 16.7 tt0 -36.54 -48.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 9.2 tttt -40.6 -39.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 4' ' ' ALA . 4.4 mp -68.53 144.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.23 142.21 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.758 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.96 137.25 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.72 119.28 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.099 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.18 89.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.4 p -125.32 136.8 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.67 171.42 15.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -13.94 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -146.65 135.89 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.86 -52.01 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.808 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.9 p -39.45 -53.54 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -63.61 -53.35 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.067 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -64.01 -71.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.75 -30.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.1 -52.04 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.74 -46.11 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.75 -30.92 63.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.3 m-20 -74.88 -48.91 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.94 78.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.1 mm? -55.4 -47.31 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.3 pt20 -61.74 -31.44 71.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.618 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -74.39 -11.65 60.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -84.37 -49.0 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.193 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.71 61.14 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.938 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.8 p90 -76.42 171.38 14.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.737 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 0.7 OUTLIER -85.59 -62.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 96.05 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.099 HG23 HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -72.83 140.99 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -142.25 116.48 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.067 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.63 148.76 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.09 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.1 -57.55 16.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.915 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.58 168.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 0.802 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.98 -111.6 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.7 pt-20 -51.65 -52.68 46.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.639 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -38.15 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.39 -45.49 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.3 tpt -55.55 -50.91 68.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.8 mtmt -56.12 -36.21 67.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.9 -44.9 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.607 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.33 -32.59 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.11 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -64.62 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.226 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.636 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.15 -175.01 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.92 141.63 27.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.559 1.821 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.609 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 5.0 p-80 -135.67 142.93 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -139.35 -42.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.632 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CG1' ' A' ' 9' ' ' VAL . 4.2 tp -138.5 112.31 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 10' ' ' LEU . 4.0 t -97.61 136.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.984 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.48 119.91 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -142.62 -175.03 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.1 p30 -90.37 171.3 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.881 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.85 -14.34 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.78 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 19.7 m-80 -41.38 172.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.6 ptt? -108.38 66.61 0.29 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.78 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.0 -159.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.42 1.747 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.89 -31.12 72.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 15.7 mtt -151.73 124.4 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 67' ' ' LEU . 16.7 t70 -127.14 172.69 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.16 -38.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.3 mm? -72.6 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.5 -40.28 97.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.0 mp -56.13 -48.56 75.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -57.95 -70.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -43.88 -31.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.49 -49.68 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.99 -49.99 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.609 ' HD3' HD21 ' A' ' 70' ' ' LEU . 12.3 mmm180 -37.59 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.1 -50.71 8.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.2 m-20 -100.38 124.34 43.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.601 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.97 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -62.57 -46.63 87.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.789 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.38 -23.13 22.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.601 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.34 -18.69 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -5.26 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.66 154.43 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -98.84 171.03 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.839 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.45 135.39 18.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.984 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.0 mt -108.62 132.97 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.881 HG22 ' CD1' ' A' ' 59' ' ' PHE . 12.8 mm -126.97 109.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.399 1.062 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.927 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.02 164.55 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.927 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -139.3 174.64 10.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.59 -15.57 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.63 -88.86 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG23 ' A' ' 88' ' ' THR . . . 164.09 133.53 1.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 50.9 m-20 -141.11 79.08 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -41.24 87.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.47 91.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -59.86 -48.8 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -63.72 -61.57 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.46 -28.09 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.639 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 12.2 mttm -69.16 -52.06 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -50.88 -56.39 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 1.029 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -36.48 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -65.06 -53.19 49.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -39.64 -57.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.783 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.16 43.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.945 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.54 154.65 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.18 -49.71 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.403 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.9 m-20 -165.99 114.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.029 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.95 129.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.081 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.3 mm? -121.89 150.57 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.6 172.01 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -133.37 66.1 73.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.94 -160.54 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -93.2 19.96 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -123.13 96.25 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.35 -26.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 7.1 tt0 -64.74 -40.9 96.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.584 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.53 -57.07 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.777 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.4 tmm? -55.56 -53.94 50.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 3.7 tttp -57.57 -58.27 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -36.11 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.081 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.89 -54.99 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.402 1.064 . . . . 0.0 109.222 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.96 -43.0 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -55.74 -20.23 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.18 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 127' ' ' ALA . . . -89.58 -40.82 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.546 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.64 -30.58 50.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.607 ' HE2' HD12 ' A' ' 121' ' ' ILE . 52.0 m-85 -91.96 -41.14 10.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.488 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -92.16 -49.91 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 123' ' ' ALA . . . -76.71 99.23 5.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.538 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -58.46 -67.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.587 0.232 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -82.02 -38.46 24.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.47 -166.83 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 32' ' ' LYS . . . -53.13 -21.64 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -33.87 -49.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -56.91 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -76.19 133.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.29 133.6 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -121.96 133.57 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.908 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.1 119.4 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.27 89.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.0 p -126.18 138.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.09 171.18 16.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.43 -9.05 58.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 134.57 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.9 -52.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.789 ' O ' HD12 ' A' ' 21' ' ' LEU . 78.1 p -39.47 -52.81 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.617 1.198 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -64.54 -52.25 58.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.79 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.069 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.119 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.4 -31.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.119 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -67.39 -51.5 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.071 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -69.99 -44.65 68.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.071 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.64 -32.07 61.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.7 m-20 -75.58 -46.52 31.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -48.09 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.727 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.84 -53.26 58.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.0 pt20 -58.83 -33.29 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.9 tt0 -77.84 -12.29 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.36 -49.88 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.15 49.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.934 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.13 159.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE3' HD13 ' A' ' 7' ' ' ILE . 5.7 mmtt -81.61 -63.96 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.758 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -137.19 110.12 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.052 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.1 132.99 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.8 113.5 9.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.79 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 153.9 17.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.02 -178.12 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.59 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.822 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.86 167.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.38 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 13.41 -108.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.609 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.9 pt-20 -50.57 -53.34 31.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 110.297 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.659 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -39.12 -27.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.53 -43.12 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -55.61 -50.38 70.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.03 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' MET . 17.3 mtpt -56.97 -37.0 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.09 -43.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.626 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 6.5 mmt -68.89 -33.35 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.97 80.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.2 -62.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -176.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 141.69 26.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.61 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.7 p-80 -134.6 142.01 46.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.561 1.163 . . . . 0.0 109.554 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -134.55 -37.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -149.23 119.72 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.7 t -98.16 140.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.18 118.88 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.552 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.13 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' N ' ' OG ' ' A' ' 57' ' ' SER . 13.3 t70 -91.86 171.93 8.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.789 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -80.46 -16.39 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.739 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -40.56 170.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.544 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.1 ptp -109.28 68.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.99 -160.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.36 -32.13 70.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.377 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.9 mtt -148.6 117.94 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.6 t70 -118.97 171.92 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.91 -39.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.5 mm? -72.87 -63.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.03 -42.03 98.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.579 1.175 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.722 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -55.46 -47.94 75.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.94 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.41 -68.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.43 -32.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -63.14 -51.31 66.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.786 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.82 -51.76 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HD3' HD21 ' A' ' 70' ' ' LEU . 14.3 mmm180 -38.22 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.04 -50.61 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -99.86 124.61 43.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.578 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.01 -15.44 20.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -64.55 -45.2 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.786 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -90.92 -22.81 20.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.31 -21.62 36.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 -1.29 35.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 152.72 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.18 172.1 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.773 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.29 137.13 21.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.967 ' HB ' HG22 ' A' ' 56' ' ' ILE . 8.3 mm -110.95 130.3 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 85' ' ' ILE . 1.1 mm -129.35 108.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.2 171.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.873 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.6 t -142.22 174.37 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.69 -15.97 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.88 -86.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.545 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.51 135.97 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.172 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 38.3 m-20 -140.2 78.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.454 ' CD ' ' HE3' ' A' ' 116' ' ' LYS . 1.1 mtm105 -60.2 -36.52 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -64.91 -39.89 94.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.644 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.79 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -64.92 -59.11 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -48.91 -30.13 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.835 ' O ' HD23 ' A' ' 102' ' ' LEU . 7.8 mttm -68.0 -50.66 54.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.565 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -53.46 -50.18 65.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.67 72.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.11 -49.11 66.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.879 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.2 mm? -39.55 -46.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.94 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.21 46.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.45 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 37.3 t30 -71.38 -49.45 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.528 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.02 115.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 10.9 p -129.44 127.04 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.7 mm? -122.93 146.73 47.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.009 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.7 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.065 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.501 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -132.91 65.78 74.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.503 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.99 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.29 19.27 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.77 93.67 4.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.16 -29.41 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.9 tm-20 -63.61 -41.24 98.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.527 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.4 -58.03 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.866 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.7 ttp -54.61 -54.36 42.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 6.9 ttmt -56.92 -57.95 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.45 -35.16 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.29 -56.2 25.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -58.42 -42.44 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -56.04 -20.44 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.42 -48.58 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.72 -31.5 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.612 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 -88.81 -11.49 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.469 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.28 -80.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.809 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.53 100.23 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.557 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -56.64 -70.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' H3 ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -84.4 -14.05 50.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -109.4 -167.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.562 ' HB1' ' CG ' ' A' ' 32' ' ' LYS . . . -52.44 -21.39 3.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -39.7 -53.25 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.506 ' N ' ' H3 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -57.1 -49.05 77.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.536 HD13 ' CE ' ' A' ' 32' ' ' LYS . 2.6 mp -68.04 131.18 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.7 138.7 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.64 132.78 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.924 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.2 120.96 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.03 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.97 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.1 p -124.84 138.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -147.07 172.04 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.1 t0 -78.89 -16.73 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.07 -51.83 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.788 ' O ' HD12 ' A' ' 21' ' ' LEU . 61.6 p -40.5 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 m -63.86 -52.44 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.0 tmm_? -64.75 -72.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.56 -31.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.5 mt -68.58 -51.4 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 19' ' ' ARG . 4.3 pp -70.5 -48.14 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -53.73 -32.78 47.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.2 m-20 -75.64 -46.78 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.686 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.1 mm? -55.29 -52.62 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.81 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.2 pt20 -59.03 -32.63 69.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.487 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 tm0? -77.57 -11.76 59.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.005 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.59 -49.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.7 49.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.005 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -77.35 158.96 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' CG ' ' HB1' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.87 -64.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -136.34 112.13 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.03 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -85.11 134.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -138.05 112.59 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.5 151.73 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -139.01 -178.06 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.29 -56.68 22.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.865 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.61 169.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.28 -111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.0 pt-20 -51.91 -52.74 47.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.756 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.647 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -37.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.13 -45.49 1.09 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.616 1.197 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.687 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 tpt -55.27 -50.77 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 0.824 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -56.39 -37.63 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.406 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.66 -44.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 59.4 mmm -66.94 -33.43 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.81 82.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.73 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.2 -176.11 0.66 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 142.88 28.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.753 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.564 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -137.83 143.77 41.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -137.01 -38.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -144.37 115.37 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.924 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -97.33 136.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.983 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.8 119.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -143.01 -175.58 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' N ' ' OG ' ' A' ' 57' ' ' SER . 38.7 p-10 -84.88 168.99 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.907 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.02 -14.87 53.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.756 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 30.4 m-80 -42.48 172.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.7 ptt? -108.58 67.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.756 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.98 -159.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.813 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.89 -31.21 70.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.435 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 25.9 mtp -152.35 122.78 7.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' LEU . 14.3 t70 -125.29 170.94 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -26.64 -38.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.66 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.73 -40.46 98.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.839 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.16 -47.86 74.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.904 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.25 -69.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -44.19 -32.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.95 -49.68 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.58 -51.03 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.598 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.2 mmm-85 -38.23 -30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.66 -49.44 9.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -101.9 123.17 44.73 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -12.35 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.53 72.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.15 -22.88 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.583 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.69 -19.16 25.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.51 -5.71 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.55 153.61 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 106' ' ' ASN . . . -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.834 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.0 134.78 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.983 ' HB ' HG22 ' A' ' 56' ' ' ILE . 5.8 mt -112.59 133.13 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.907 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -125.14 109.75 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -119.76 161.96 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.906 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -136.74 174.72 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.13 -15.0 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -122.99 -88.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.05 135.23 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 31.2 m-20 -140.28 78.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -59.92 -36.17 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.3 91.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.08 -49.81 76.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.34 -59.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -50.05 -27.75 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.65 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -69.26 -48.98 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.755 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.51 -48.27 72.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.7 91.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.79 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.904 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.9 39.24 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.53 157.37 16.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 62.7 t30 -70.83 -49.22 48.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 72.6 m-80 -165.09 117.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.834 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.2 p -127.9 128.51 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.064 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.2 mm? -120.9 147.12 45.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.013 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.92 172.03 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -134.68 65.1 65.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.96 -160.4 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.21 20.73 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.08 95.73 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.03 -26.55 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 5.4 mt-10 -63.1 -42.2 99.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.707 ' HB2' HG23 ' A' ' 113' ' ' THR . 0.9 OUTLIER -75.66 -57.14 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.85 ' O ' HG23 ' A' ' 121' ' ' ILE . 11.3 tmm? -54.77 -53.92 48.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 ttmt -57.92 -58.65 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.42 -35.05 64.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.064 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.11 -55.4 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.16 -42.02 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -56.17 -20.03 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.39 -48.79 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.234 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.597 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.3 -32.03 49.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.4 m-30 -88.46 -11.01 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.47 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.19 -80.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -78.39 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -53.33 -64.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 tttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.505 ' CB ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.478 0.18 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.75 -43.05 15.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -147.29 -165.9 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.967 ' O ' HD12 ' A' ' 7' ' ' ILE . . . -53.9 -20.5 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 4' ' ' ALA . 10.3 tt0 -33.67 -41.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -35.92 -34.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.967 HD12 ' O ' ' A' ' 4' ' ' ALA . 3.5 mp -81.1 136.03 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.69 139.89 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.53 134.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 122.73 46.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.034 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.91 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -125.01 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.97 171.82 14.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.5 t0 -77.8 -17.39 57.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 135.07 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.74 -51.94 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.6 p -39.66 -53.24 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 m -63.78 -52.83 58.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.044 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.35 -71.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.125 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.66 -30.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.125 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.6 mt -67.67 -52.28 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.084 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.33 -46.16 64.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.084 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.23 -30.9 61.65 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 14.1 m-20 -75.4 -47.19 28.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -47.36 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.684 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.78 -51.03 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.715 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.9 pt20 -61.36 -32.72 72.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 11.0 tp60 -77.04 -11.61 59.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.036 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.09 -49.1 12.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.46 50.92 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.036 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.73 162.04 28.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 mptt -80.71 -64.2 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.755 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -137.67 112.4 8.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.034 HG23 HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -86.09 133.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.15 112.89 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.044 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.33 150.35 21.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.876 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.38 -177.85 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.27 19.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.92 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.16 168.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.373 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.34 -111.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.595 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.46 -52.71 44.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.72 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.876 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.61 -45.24 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 44' ' ' MET . 2.2 tpp -55.38 -50.7 69.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.8 mtmt -56.53 -37.27 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -59.09 -44.56 91.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 mmm -66.63 -32.33 73.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.85 81.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -63.89 -63.41 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.601 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.74 -176.44 0.76 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.33 29.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.649 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -138.04 149.01 45.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.998 ' C ' HD13 ' A' ' 54' ' ' LEU . 10.7 t-160 -141.14 -50.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.89 110.7 11.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.852 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -94.28 135.03 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.11 119.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -141.54 -175.27 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 19.8 p-10 -86.78 163.66 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 1.009 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.81 -14.43 58.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.745 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 52.4 m-20 -45.61 176.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.573 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.41 68.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.745 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.01 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -59.46 -31.93 69.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.514 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.2 mtt -148.69 117.25 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 25.2 t0 -117.16 172.67 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.47 -38.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.45 -63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.55 -41.59 98.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.78 -48.33 75.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.3 tt -57.17 -69.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 1.19 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -42.7 -32.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.09 -50.24 69.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.831 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.24 -51.39 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 10.0 mmm180 -38.28 -29.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.23 -53.6 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.8 OUTLIER -94.47 123.75 57.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.91 -14.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.576 1.829 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.549 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.92 -45.27 82.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.831 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -89.88 -22.74 21.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.462 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.42 -24.95 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -98.84 -2.52 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.42 153.82 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -94.67 172.14 8.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.21 133.86 17.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 16.5 mt -109.31 130.25 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.009 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -126.81 106.64 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.01 161.7 30.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.881 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.58 174.57 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.13 -13.45 12.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -115.82 -85.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.02 134.02 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.622 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 86.3 m-20 -140.65 77.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -57.03 -34.91 68.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.97 86.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.58 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.53 -49.15 78.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.836 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.84 -59.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.41 -30.94 8.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.805 ' O ' HD23 ' A' ' 102' ' ' LEU . 31.9 mttt -67.17 -50.91 59.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.37 -50.7 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.504 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.39 -44.7 68.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.71 72.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.865 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.3 mm? -40.8 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.83 44.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.699 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.74 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.384 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 80' ' ' LYS . 2.3 t30 -71.09 -49.4 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.616 HD22 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -165.47 115.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.765 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -126.28 129.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.054 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.38 148.74 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.826 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -107.33 172.79 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -137.76 62.75 36.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.482 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.0 Cg_endo -74.99 -161.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.48 19.26 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.78 96.25 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.78 -26.81 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 12.3 tt0 -64.04 -40.11 95.58 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.598 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.29 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.91 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.7 ttt -55.03 -54.43 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.1 ttmt -56.28 -59.13 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.64 -36.22 66.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.054 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.42 -56.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.37 -41.68 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -56.38 -20.34 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.787 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.1 -47.71 8.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.616 HG23 HD22 ' A' ' 106' ' ' ASN . 0.3 OUTLIER -60.08 -35.64 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.717 ' HE2' HD12 ' A' ' 121' ' ' ILE . 45.7 m-85 -86.5 -8.87 57.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.28 -82.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.787 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.72 99.57 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -57.93 -69.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' LEU . 15.5 tttp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.582 ' H3 ' ' HB2' ' A' ' 6' ' ' LYS . 23.8 mmm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.441 0.162 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -82.34 -41.21 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -143.81 -165.85 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -52.2 -21.82 3.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 4' ' ' ALA . 27.9 tt0 -33.24 -50.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.582 ' HB2' ' H3 ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -49.82 -61.48 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.206 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HG2' ' A' ' 32' ' ' LYS . 1.4 mp -71.27 129.91 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.58 136.99 18.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -127.04 135.71 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.91 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -115.86 122.84 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.029 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -118.16 90.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.91 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -125.29 137.57 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.41 171.95 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 t70 -78.75 -14.52 59.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.35 133.46 22.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -51.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 69.9 p -40.28 -52.55 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 m -64.34 -52.63 57.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.046 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.46 -71.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.55 -31.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.121 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.51 -51.84 46.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.44 -45.75 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.232 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.86 -31.09 60.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.0 m-20 -75.6 -47.45 26.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.31 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.0 mm? -55.68 -52.34 64.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.7 pt20 -59.19 -32.66 70.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 17.7 tt0 -78.7 -11.45 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.18 -49.88 12.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.199 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.57 47.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.582 1.176 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.08 158.8 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.84 ' HG2' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -81.64 -64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.779 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.1 mm-40 -135.43 114.41 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -87.91 133.69 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -135.21 113.21 11.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.046 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.15 149.18 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.83 -177.63 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.12 -57.2 19.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.91 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.77 168.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.73 -112.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 22.2 pt-20 -51.74 -52.47 48.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.64 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -29.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.57 -45.71 1.03 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 44' ' ' MET . 1.2 tpt -54.98 -50.52 68.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.8 mtmt -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.95 -43.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 22.6 mmt -67.54 -32.77 73.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.49 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.19 -175.88 0.66 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 141.69 27.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.58 144.96 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 1.001 ' C ' HD13 ' A' ' 54' ' ' LEU . 3.0 t-160 -137.07 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.001 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -128.67 110.86 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 HD12 ' A' ' 10' ' ' LEU . 4.5 t -95.44 133.74 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -135.49 120.33 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.7 t -141.98 -175.08 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 57' ' ' SER . 22.3 p-10 -87.91 164.56 15.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.995 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.37 -13.93 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.77 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 56.8 m-80 -45.08 176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.6 ptm -107.91 67.57 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.77 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.7 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.2 mtt -149.83 121.85 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.6 t0 -123.98 172.24 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.32 -37.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.59 -64.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.56 -39.21 97.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.809 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.5 mp -56.58 -48.39 77.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.882 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.22 -69.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.48 -31.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.07 -49.83 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.42 -51.37 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 8.0 mmm180 -37.76 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.57 -52.06 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -97.86 123.47 51.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.6 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -12.95 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.494 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -64.11 -46.24 85.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -91.79 -22.97 19.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.6 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.27 -20.35 41.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -0.78 29.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.73 154.26 19.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -95.15 172.0 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.777 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.91 134.73 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 17.5 mt -109.43 130.04 63.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.995 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.69 108.48 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.25 165.25 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.48 174.4 10.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.46 -13.88 16.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -115.52 -86.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.38 135.18 1.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.384 1.053 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 75.3 m-20 -141.61 79.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -58.76 -36.98 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -65.33 -39.83 92.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.38 -47.44 85.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.005 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.15 -60.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.499 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -50.76 -27.75 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.673 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.8 mttt -69.72 -49.43 53.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.35 -53.66 54.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.85 -48.36 70.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.58 91.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.882 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.33 40.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.72 157.21 16.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -70.55 -49.73 44.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.432 ' OD1' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.4 116.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -128.05 128.63 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.04 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -122.22 147.56 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.005 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.56 171.86 7.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.4 OUTLIER -138.18 63.79 37.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -90.35 19.41 5.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.382 1.051 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.591 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.88 96.87 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -52.14 -26.85 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mt-10 -64.26 -40.85 96.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.591 ' CB ' HG23 ' A' ' 113' ' ' THR . 11.9 tptp -74.79 -58.01 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.901 ' O ' HG23 ' A' ' 121' ' ' ILE . 3.2 ttt -55.25 -54.79 38.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -56.13 -58.32 8.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.21 -36.24 68.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.04 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.74 -56.37 22.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.8 -42.09 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.96 -20.08 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.55 -47.41 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.18 -35.35 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.725 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.4 m-85 -87.07 -10.66 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.513 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.07 -83.61 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.801 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.06 99.6 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 2' ' ' SER . 5.1 ptm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.438 0.161 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -62.01 -41.53 98.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -144.79 -165.75 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -54.19 -21.99 10.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 4' ' ' ALA . 23.4 tt0 -31.97 -48.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -49.68 -60.23 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -82.15 134.6 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -152.6 129.07 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.983 HG13 HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -114.6 136.26 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.889 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -116.5 120.02 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.049 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.36 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.912 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.75 139.26 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.24 171.18 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -77.78 -16.88 58.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -142.29 134.0 26.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.82 -53.15 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.786 ' O ' HD12 ' A' ' 21' ' ' LEU . 73.7 p -38.71 -52.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -63.93 -53.5 49.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.085 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.2 tmm_? -64.48 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.117 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.07 -31.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.117 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.3 mt -67.77 -52.3 38.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.5 pp -70.98 -46.67 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -58.13 -30.72 64.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.9 m-20 -74.91 -47.76 28.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.35 69.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 ' CE2' ' A' ' 31' ' ' PHE . 1.3 mm? -56.52 -52.05 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.9 pt20 -59.41 -32.59 70.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 18.7 tp60 -74.5 -14.97 60.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -74.2 -47.75 33.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.79 52.24 0.3 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.575 1.172 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CE1' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -75.13 179.28 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.96 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -83.17 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.0 tt0 -141.63 111.65 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.049 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -86.73 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.41 115.54 9.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.085 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.04 148.37 23.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.86 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.01 -177.28 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.44 -57.61 15.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.912 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.65 168.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.35 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 16.9 pt-20 -50.9 -52.53 41.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.642 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.92 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.86 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.38 -45.28 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -55.02 -50.46 69.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' MET . 9.4 mtmt -56.42 -37.79 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -43.83 90.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.643 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 57.6 mmm -67.88 -32.5 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -62.79 -48.0 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.19 -63.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.627 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.61 -175.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 142.21 27.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.639 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -139.52 135.75 33.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -32.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.983 HD13 HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.87 119.29 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.7 t -105.24 136.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.34 118.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.14 -176.44 4.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' N ' ' OG ' ' A' ' 57' ' ' SER . 20.3 p-10 -82.12 164.03 21.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 1.005 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.86 -14.32 58.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 54.5 m-20 -44.72 175.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.4 ptt? -108.74 67.77 0.34 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.98 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.61 -35.63 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.1 mtp -146.08 120.87 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -124.1 170.77 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.576 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -28.43 -36.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.57 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.739 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.26 -39.58 97.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.861 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.44 -48.46 76.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.34 -70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -43.94 -32.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.31 -49.78 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -58.31 -51.44 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.577 ' HD3' HD21 ' A' ' 70' ' ' LEU . 15.7 mmm180 -38.26 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -87.06 -47.96 8.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -100.32 119.76 58.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.95 -14.96 21.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.27 88.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.673 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.73 -22.95 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.576 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.42 -21.26 50.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' CA ' ' HE2' ' A' ' 80' ' ' LYS . 13.1 pttt -96.72 -6.22 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.97 155.36 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.35 172.27 7.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.82 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.0 134.1 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.8 mt -110.6 132.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.005 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.76 108.34 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.26 160.68 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.861 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.53 174.61 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.38 -14.46 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -115.39 -85.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.11 135.17 1.99 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 80.1 m-20 -141.39 79.41 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -37.06 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.82 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.3 -47.97 81.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -64.58 -59.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.48 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.38 -27.23 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.666 ' O ' HD23 ' A' ' 102' ' ' LEU . 8.2 mttm -70.25 -48.93 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.374 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.79 -51.97 65.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.793 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.75 -48.8 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.29 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.25 -53.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.916 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.2 39.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.8 157.13 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.47 -48.72 47.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.494 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -164.74 116.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.82 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.7 p -126.2 129.78 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -122.28 147.75 45.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.95 172.01 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -137.64 62.9 37.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.0 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.49 19.66 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.75 96.99 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.89 -26.53 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -63.86 -40.69 97.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.587 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.24 -57.29 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.893 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.5 tmm? -55.63 -53.76 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 tttp -57.48 -58.68 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.87 -35.61 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.86 -56.01 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.893 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.23 -42.35 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.64 -20.34 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.33 -49.44 7.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.389 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.32 -31.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 -88.87 -12.89 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.433 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.59 -79.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.761 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.79 99.7 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.495 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.16 -75.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -82.97 -34.29 26.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.26 -164.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -52.84 -21.5 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -29.71 -61.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 38.58 48.27 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.503 HD11 ' CG ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -68.59 128.56 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HZ2' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.76 137.52 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.21 130.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -111.76 118.91 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.018 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.42 90.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.868 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.28 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.142 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.02 171.35 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.42 -9.05 58.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 1.198 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.73 136.5 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.44 -52.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.7 p -39.36 -53.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -64.02 -52.31 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.807 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.5 tmm_? -64.57 -71.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.9 -31.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -66.7 -52.09 48.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.087 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.29 -45.2 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.087 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.11 -31.76 59.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.3 m-20 -75.92 -47.13 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -47.68 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.78 -53.66 53.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.699 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.5 pt20 -58.4 -33.09 69.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -76.47 -12.31 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.51 -49.45 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.87 50.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.943 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.34 158.71 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -81.01 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -136.38 111.91 9.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.018 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -84.96 131.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 114.24 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.807 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -98.05 152.86 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.851 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.29 -177.9 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.82 -56.47 24.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.868 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.46 168.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.63 -111.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.9 pt-20 -51.45 -52.94 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.648 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.89 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.851 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.08 1.06 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.547 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -55.61 -50.63 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 12.9 mtmt -56.79 -35.43 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 50' ' ' ASN . 1.0 OUTLIER -60.0 -44.4 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.7 -33.53 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.06 75.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.92 -64.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.199 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.622 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.9 -175.51 0.57 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.02 140.54 25.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 4.3 p-80 -134.58 147.39 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -142.33 -38.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.26 115.82 7.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.817 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.29 137.58 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.963 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -138.46 118.36 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -143.24 -175.53 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.2 p-10 -88.27 171.11 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.932 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.09 -13.71 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 m120 -41.65 172.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.536 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -108.64 67.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.054 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.02 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.69 -31.57 71.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 9.9 mtp -150.08 121.69 8.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.549 1.155 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 67' ' ' LEU . 10.6 t70 -123.74 171.57 9.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.79 -39.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -73.01 -64.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -59.53 -40.69 96.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.705 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -54.98 -48.17 73.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.905 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -56.77 -68.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -43.64 -31.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -49.82 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.828 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -56.92 -49.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -38.29 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.47 -53.17 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.563 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.98 123.3 59.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.06 -14.51 20.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' CE1' ' A' ' 52' ' ' HIS . . . -67.08 -46.57 73.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.828 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -87.71 -22.51 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -55.69 -26.91 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 5.95 38.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -100.36 151.88 20.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.65 171.49 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.768 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.68 138.38 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.963 ' HB ' HG22 ' A' ' 56' ' ' ILE . 10.7 mm -109.49 131.99 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.932 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.5 mm -127.63 109.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -122.12 164.74 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.92 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.67 174.22 10.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.9 -15.24 28.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.63 -87.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.16 135.98 1.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 40.0 m-20 -140.74 79.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -34.78 76.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.64 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.82 -48.76 80.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.042 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.35 -58.88 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -52.56 -26.61 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.643 ' O ' HD23 ' A' ' 102' ' ' LEU . 16.6 mttp -69.88 -48.89 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.452 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -56.67 -53.73 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.89 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.53 -47.75 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.54 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -41.12 -52.79 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.905 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 153.13 38.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.675 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -92.3 156.58 17.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -70.76 -49.31 48.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -166.2 116.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.89 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -128.77 129.33 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.088 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -123.46 148.31 46.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.042 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.87 173.21 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.7 OUTLIER -133.75 64.36 67.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.429 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -160.26 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.443 1.76 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -94.63 19.55 9.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.551 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.91 95.06 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.12 -27.69 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.1 mm-40 -64.3 -41.31 96.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -74.97 -57.65 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.882 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -55.31 -54.78 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.5 OUTLIER -56.32 -58.41 8.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -35.36 67.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.088 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.33 -56.02 27.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.06 -41.78 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.05 -20.28 16.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.94 -48.6 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -60.56 -32.85 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.607 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 -87.92 -10.04 51.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.468 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.22 -80.02 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.733 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.92 99.1 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 0.72 . . . . 0.0 109.231 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -56.04 -67.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.486 0.184 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -83.21 -39.66 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -142.53 -166.42 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.604 ' HB1' ' HG2' ' A' ' 32' ' ' LYS . . . -53.09 -20.5 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' LYS . 3.8 tt0 -38.06 -48.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HG3' ' CD1' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -39.46 -38.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.5 mp -90.71 131.8 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.22 140.87 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.48 138.42 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.928 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.19 120.7 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.053 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.43 89.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -125.28 136.89 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.02 170.51 17.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.1 t70 -78.12 -16.4 58.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.23 134.09 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.63 -51.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.806 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.4 p -39.98 -52.95 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -63.63 -53.86 44.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.081 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.66 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.98 -30.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -66.78 -51.74 52.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.067 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.95 -46.6 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.067 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.07 -30.31 60.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.4 -50.18 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.248 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.62 83.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.2 mm? -56.03 -48.57 75.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.41 -31.28 70.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -74.59 -13.21 60.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -83.18 -48.86 10.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.5 61.38 0.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.9 p90 -76.56 171.05 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 3.1 mptt -85.02 -62.61 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -143.5 97.61 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.053 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.5 139.33 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -140.22 115.28 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.081 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.45 146.66 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.65 -177.45 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -57.98 15.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.94 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.01 168.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.89 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.578 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.7 pt-20 -51.86 -52.3 50.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.628 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.2 mm-40 -37.46 -29.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.07 -45.15 1.04 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.462 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 1.2 tpt -55.47 -50.55 69.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.3 mtmt -56.48 -37.04 69.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.06 -45.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.649 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.5 mmm -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.63 82.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -64.46 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.0 -177.55 0.97 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 145.14 30.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.598 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.6 OUTLIER -138.17 148.23 44.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.633 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -140.81 -40.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 3.9 tp -139.76 111.02 7.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.826 HG13 HD12 ' A' ' 10' ' ' LEU . 2.8 t -96.11 134.87 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -136.72 121.37 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.6 t -142.75 -175.06 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.55 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.7 p-10 -86.03 162.9 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 1.053 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.71 -14.9 58.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.724 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 72.3 m-20 -46.78 176.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.2 ptt? -108.83 69.38 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.13 -160.11 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -58.86 -32.58 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 69' ' ' LEU . 2.9 mtt -148.34 118.52 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 67' ' ' LEU . 23.2 t70 -118.78 173.11 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.21 -38.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.21 -64.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 0.72 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.31 -41.85 98.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.71 -47.51 76.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.4 tt -57.31 -69.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -42.77 -31.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.89 -49.75 69.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.91 -51.01 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.649 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.4 mmm180 -38.03 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -88.4 -48.64 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.623 ' HB3' HG22 ' A' ' 79' ' ' THR . 7.5 m-20 -86.29 118.41 70.3 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.635 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.98 -12.69 21.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' ' CE ' ' A' ' 81' ' ' LYS . . . -72.57 -47.99 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.734 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.95 -17.2 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -49.75 -29.87 8.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.53 ' CE ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -103.33 -8.84 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.592 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -82.1 144.61 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.487 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -92.46 172.27 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.32 134.37 16.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.992 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.7 mt -109.9 129.74 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.053 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -125.51 105.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.893 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.73 163.03 28.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.893 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.65 174.53 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.21 -12.88 14.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.14 -86.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.182 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.49 ' N ' HG23 ' A' ' 88' ' ' THR . . . 152.23 133.62 1.97 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.628 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 71.0 m-20 -141.12 78.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 93' ' ' ARG . 12.4 mtm105 -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 98' ' ' LYS . . . -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -60.87 -50.2 74.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.06 -59.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.527 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -49.68 -31.21 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.792 ' O ' HD23 ' A' ' 102' ' ' LEU . 5.1 mttp -66.88 -50.23 63.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.99 -50.63 63.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.23 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.46 -48.54 64.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.859 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -40.05 -45.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 136.72 46.23 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.92 157.55 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.2 t-20 -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.05 115.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.778 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -128.11 128.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.076 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -124.26 145.33 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.84 171.89 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CB ' ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.12 63.03 48.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.419 1.747 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.52 19.62 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.05 96.46 5.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.459 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.0 -26.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.1 tt0 -64.4 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.583 ' CB ' HG23 ' A' ' 113' ' ' THR . 8.1 tptt -74.89 -56.82 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.916 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.3 tmt? -55.79 -55.1 36.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 5.6 tttp -56.21 -58.12 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.49 -36.44 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.076 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.51 -57.15 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.13 -41.96 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.05 -19.45 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.789 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.51 -49.28 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.95 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.722 ' HE2' HD12 ' A' ' 121' ' ' ILE . 38.4 m-85 -87.54 -10.53 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.24 -83.6 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.789 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -76.27 100.2 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -55.48 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HG2' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -82.67 -41.85 18.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.924 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -145.12 -167.1 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 7' ' ' ILE . . . -54.55 -21.87 11.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -31.55 -49.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' CG ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -57.2 -62.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.648 HD13 ' HD2' ' A' ' 32' ' ' LYS . 2.2 mp -70.96 131.06 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.91 135.11 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.895 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -123.54 135.23 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.69 119.3 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.035 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.66 90.61 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -126.04 136.03 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -145.0 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 7.8 t0 -78.67 -13.08 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -146.49 134.52 21.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.76 -52.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 66.4 p -40.21 -52.39 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -53.08 54.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.099 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.8 tmm_? -64.37 -71.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.47 -31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.44 -52.12 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.094 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -69.97 -45.68 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.094 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.38 -31.17 62.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.1 m-20 -75.53 -46.75 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 1.4 mm? -55.02 -48.67 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.531 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.0 pt20 -62.93 -32.01 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.4 tt0 -76.38 -12.29 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.075 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.043 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.4 -49.25 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 131.09 53.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.404 1.065 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.043 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.97 157.16 33.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.648 ' HD2' HD13 ' A' ' 7' ' ' ILE . 1.5 mmtt -77.14 -64.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.797 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.1 mm-40 -135.52 111.82 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 HD11 ' A' ' 11' ' ' ILE . 1.3 mt -86.98 132.92 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 113.53 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.099 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.86 149.78 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.896 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.66 -177.96 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.23 -56.94 20.88 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.909 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.64 168.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.08 -110.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -51.98 -53.19 44.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.637 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.8 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.896 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.68 -46.15 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tpp -54.65 -50.85 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' MET . 7.8 mtmt -56.17 -36.81 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -60.27 -43.53 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.648 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.6 mmm -68.04 -32.86 73.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.33 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.67 -62.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.33 -177.0 0.82 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 141.74 27.04 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.604 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 3.3 p-80 -135.97 143.49 44.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -134.79 -38.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -144.78 118.46 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.4 t -98.59 139.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.11 119.07 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -143.16 -174.54 4.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.0 p30 -89.7 171.16 9.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.84 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.43 -14.37 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.767 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 20.9 m-20 -41.85 173.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.43 67.46 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.767 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.03 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.43 -31.86 71.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.5 mtp -149.74 122.1 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.39 1.056 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 67' ' ' LEU . 17.2 t0 -124.55 172.01 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.23 -39.58 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.451 1.095 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.4 mm? -72.36 -63.78 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.58 -41.11 98.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.829 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -54.88 -48.63 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -58.54 -69.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -43.45 -32.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.29 -51.03 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -57.63 -50.89 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.596 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.3 mmm-85 -37.64 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.32 -50.02 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.1 m-20 -101.09 123.28 45.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -14.7 21.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.61 -46.89 83.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.19 -23.21 22.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.54 -19.55 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -4.56 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.94 148.25 23.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 172.77 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.795 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.64 137.57 22.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.959 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.6 mm -109.64 131.98 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.84 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.3 mm -126.65 108.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.929 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -118.48 162.97 17.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.929 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.83 173.92 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.43 -14.24 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.09 -89.01 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.552 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.04 133.96 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.851 ' HB3' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -141.63 79.32 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' NH1' HG21 ' A' ' 113' ' ' THR . 1.8 mtm180 -61.09 -38.25 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.508 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -62.7 -34.93 78.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.851 HD23 ' HB3' ' A' ' 92' ' ' ASP . 4.6 mm? -67.2 -48.33 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.032 ' CG2' ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.56 -61.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.506 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -48.98 -29.75 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.22 -52.78 36.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -51.31 -56.26 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 1.044 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -35.3 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -66.61 -53.25 36.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.695 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.1 mt -39.14 -56.94 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.789 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.01 43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.585 1.178 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.986 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.97 154.9 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.43 -50.69 29.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.537 HD22 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -166.27 115.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.044 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -129.86 127.66 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -121.96 150.22 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.032 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . . . -110.62 171.26 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -129.72 69.88 81.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.438 ' HG3' ' CD ' ' A' ' 93' ' ' ARG . 18.1 Cg_endo -74.98 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -96.39 21.86 8.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.909 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -127.03 99.34 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.4 pp -50.22 -28.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.2 mt-10 -63.2 -40.57 97.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.909 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.4 mmtt -74.64 -58.73 3.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.209 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.927 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 ttt -55.29 -55.05 35.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 13.0 tttt -55.43 -58.19 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.69 -37.35 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.13 -56.63 19.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -57.88 -41.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.74 -20.4 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.08 -49.36 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.537 HG23 HD22 ' A' ' 106' ' ' ASN . 0.3 OUTLIER -59.4 -37.39 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.724 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.9 m-85 -83.89 -9.19 58.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.444 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.57 -82.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.775 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -78.01 99.12 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.529 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -59.69 -70.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -82.4 -40.87 20.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -146.05 -165.71 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.601 ' O ' ' O ' ' A' ' 7' ' ' ILE . . . -54.46 -23.41 15.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 4' ' ' ALA . 2.1 tt0 -29.34 -45.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' ALA . 2.7 tptt -70.76 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.601 ' O ' ' O ' ' A' ' 4' ' ' ALA . 2.6 mp -68.24 129.0 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.57 137.88 28.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.844 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.37 136.02 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.65 120.72 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.041 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.52 89.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -124.59 136.89 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -145.91 171.75 14.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.226 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.89 -4.6 53.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -155.57 134.32 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.25 -51.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 12.6 p -40.29 -53.02 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.3 m -63.99 -53.1 55.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.778 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.26 -71.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.6 -31.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.5 mt -67.01 -51.92 48.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.78 -45.68 64.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.076 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.62 -31.53 60.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.0 m-20 -75.69 -47.15 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -47.54 68.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.73 -53.05 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.778 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.6 pt20 -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 32.2 tp60 -76.5 -13.17 60.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.004 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.24 -49.66 12.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 134.88 51.94 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.004 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.67 161.51 28.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mptt -81.09 -63.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -138.72 109.07 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.041 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.62 131.65 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.11 112.86 10.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.778 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 151.74 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.85 -178.28 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -56.8 22.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.884 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.74 168.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 0.785 . . . . 0.0 109.378 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.33 -110.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.5 pt-20 -51.62 -53.41 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.649 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 1.3 mm-40 -38.21 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.17 -45.2 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -55.32 -50.62 69.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 111.022 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 44' ' ' MET . 0.1 OUTLIER -56.6 -37.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -59.34 -44.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.655 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.3 mmm -67.99 -33.14 74.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.4 83.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -64.33 -63.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.593 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.43 -176.67 0.78 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 143.33 28.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -136.89 142.01 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -132.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.73 118.44 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.902 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.1 t -98.76 138.4 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.991 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.01 119.12 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.544 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.3 t -142.91 -175.24 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.544 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.9 p-10 -89.72 171.7 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.941 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.33 -13.27 55.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 111.046 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.766 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 m120 -41.61 171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.533 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.67 67.28 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.01 -159.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.18 -31.58 72.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 6.6 mtp -149.79 123.28 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.664 ' O ' ' N ' ' A' ' 67' ' ' LEU . 22.6 t0 -126.8 171.46 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.38 -39.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.65 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.69 -40.05 97.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.813 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.32 -48.03 74.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.93 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.05 -69.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.73 -32.18 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.09 -50.41 66.23 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.4 -51.34 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.56 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -85.54 -52.57 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.47 121.81 64.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.03 -14.91 20.94 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.461 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.79 -45.89 80.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -88.98 -23.23 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.11 -21.05 44.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.91 0.03 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.53 149.01 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -93.07 171.93 8.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.804 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.97 135.53 19.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.991 ' HB ' HG22 ' A' ' 56' ' ' ILE . 20.7 mt -108.76 132.16 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.941 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.9 mm -126.47 110.33 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.904 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.27 166.23 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.904 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.7 t -141.15 174.64 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.48 -17.4 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.561 ' H ' HG23 ' A' ' 88' ' ' THR . 1.2 mt-30 -120.65 -86.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 88' ' ' THR . . . 162.03 136.62 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 29.8 m-20 -140.57 79.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 0.8 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -59.63 -35.71 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.326 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.4 92.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -59.05 -48.39 81.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.81 -59.4 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.476 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -51.4 -26.58 8.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.677 ' O ' HD23 ' A' ' 102' ' ' LEU . 3.0 mttt -70.1 -49.24 52.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.64 -53.74 54.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.57 -47.45 73.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.53 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.93 -51.93 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.93 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.3 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.64 157.44 15.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.46 -50.17 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -165.5 116.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.906 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -127.51 128.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -120.49 148.18 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.29 172.66 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.1 OUTLIER -137.4 64.61 46.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -160.68 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -91.85 19.93 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -122.13 95.83 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -50.98 -27.01 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.6 mm-40 -64.26 -41.0 97.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.561 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.44 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.917 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 tmt? -55.11 -54.29 45.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -57.05 -58.44 8.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.52 -36.95 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.21 -57.25 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -58.86 -41.73 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.97 -19.98 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.35 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.807 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.87 -47.94 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.87 -35.95 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.735 ' HE2' HD12 ' A' ' 121' ' ' ILE . 41.7 m-85 -85.24 -16.46 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -136.13 -83.51 0.15 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.807 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.64 98.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 0.814 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.568 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -54.47 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.67 ' H1 ' ' HD3' ' A' ' 6' ' ' LYS . 43.3 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.443 0.163 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -37.33 75.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.48 -165.16 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' HB1' ' HG2' ' A' ' 32' ' ' LYS . . . -53.76 -20.78 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -33.25 -46.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.67 ' HD3' ' H1 ' ' A' ' 1' ' ' MET . 3.9 tptp -41.16 -50.75 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.66 HG21 ' HD3' ' A' ' 32' ' ' LYS . 3.7 mp -72.73 139.8 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.0 140.34 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.815 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.92 134.66 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.02 121.34 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.055 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.22 90.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.886 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -124.0 137.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.4 171.63 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.532 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 2.1 t0 -74.54 -22.92 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 138.24 35.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.48 -52.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.9 p -38.21 -53.05 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 m -63.88 -53.51 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.786 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.03 -71.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.98 -31.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.8 mt -67.17 -51.65 51.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -71.1 -45.23 64.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.51 -31.55 63.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.6 m-20 -75.85 -47.06 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.78 68.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.69 -53.52 55.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 9.1 pt20 -58.85 -33.07 70.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.6 tm0? -75.55 -11.92 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.22 -49.5 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.5 50.97 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -75.43 159.62 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HG21 ' A' ' 7' ' ' ILE . 4.5 mptt -80.83 -63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -137.68 111.65 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.055 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -84.86 132.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.85 113.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.786 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.88 151.24 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.12 -177.59 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.2 -57.03 20.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.886 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.99 168.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.216 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -110.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.8 pt-20 -51.53 -53.26 39.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.643 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.97 -28.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.25 -45.38 1.09 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.25 -50.85 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 10.9 mtmt -56.25 -37.42 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.602 1.189 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -44.52 91.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 51.6 mmm -67.03 -33.29 75.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.68 83.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -64.41 -63.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.604 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.37 -176.37 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.01 143.24 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.628 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -138.12 143.46 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 7' ' ' ILE . 10.5 t-80 -136.02 -39.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -143.25 117.27 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -98.51 138.29 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.54 118.61 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.98 -175.28 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.1 p-10 -87.51 171.52 10.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.918 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.71 -14.61 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 27.3 p-10 -40.88 171.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.16 68.26 0.31 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.02 -159.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.46 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.421 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 31.1 mtp -149.37 122.41 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 67' ' ' LEU . 9.0 t70 -125.43 172.39 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.1 -39.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.71 -64.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.42 -39.94 96.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.828 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.6 -48.43 74.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.912 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.77 -69.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.88 -31.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 110.23 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.4 70.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.63 -51.71 69.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.592 ' HD3' HD21 ' A' ' 70' ' ' LEU . 16.3 mmm180 -37.74 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.86 -51.47 6.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.6 m-20 -96.6 123.18 55.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.01 -15.06 20.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -64.09 -46.81 82.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.52 -23.01 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.436 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.2 -21.72 24.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.19 1.64 33.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.53 146.03 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.32 172.12 8.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.817 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.26 135.72 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.016 ' HB ' HG22 ' A' ' 56' ' ' ILE . 21.0 mt -108.92 132.16 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.918 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.6 mm -125.99 109.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.67 163.84 17.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.94 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.07 174.72 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -64.08 -13.35 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.11 -89.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 88' ' ' THR . . . 167.42 134.3 1.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 33.3 m-20 -140.9 79.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -62.49 -36.94 84.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.7 91.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 0.3 OUTLIER -59.11 -49.96 75.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -62.8 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.81 -27.03 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.0 mttm -69.99 -49.18 54.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.5 -53.63 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.887 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.38 -48.07 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.19 89.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -40.9 -53.67 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.912 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 154.09 39.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.422 1.076 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.59 157.33 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.08 -49.4 44.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.454 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -166.37 115.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.32 129.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.399 1.062 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.077 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.57 149.74 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.74 171.54 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.498 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -131.44 67.02 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.577 1.83 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.41 19.49 9.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -123.14 97.8 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.61 -26.92 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.5 mt-10 -64.24 -40.73 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.56 ' CB ' HG23 ' A' ' 113' ' ' THR . 2.2 tmtm? -75.43 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.823 ' O ' HG23 ' A' ' 121' ' ' ILE . 7.2 tmm? -55.29 -53.75 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -57.53 -58.91 6.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.49 -36.02 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.077 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.79 -55.07 39.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.93 -42.06 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -56.23 -20.77 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.668 ' O ' ' HB3' ' A' ' 127' ' ' ALA . . . -88.75 -41.37 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.529 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.09 -32.07 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.589 ' HE2' HD12 ' A' ' 121' ' ' ILE . 48.0 m-85 -89.9 -42.13 11.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -91.63 -50.8 2.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 123' ' ' ALA . . . -76.1 98.39 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 0.832 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -61.07 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.5 tttt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.378 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -56.97 -39.15 74.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -144.24 -164.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -53.28 -21.15 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.844 ' HG2' HD11 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -30.66 -69.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 33.94 58.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.844 HD11 ' HG2' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -64.61 125.58 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.76 141.26 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.52 131.15 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.91 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -112.98 122.01 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.051 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.47 90.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.4 137.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.4 t0 -79.38 -9.14 59.53 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.497 1.123 . . . . 0.0 109.381 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -149.03 132.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.71 -51.82 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 68.4 p -40.14 -53.28 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.8 m -64.3 -52.5 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 1.056 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.6 tmm_? -64.11 -71.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.06 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.4 mt -66.35 -51.94 52.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.083 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.32 -45.54 66.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 1.083 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.34 -30.78 61.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.92 -47.41 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 -47.75 68.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.16 -51.09 67.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 34' ' ' ILE . 4.1 pt20 -60.84 -32.68 72.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.5 -12.78 60.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.002 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.02 -49.58 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.75 53.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.002 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.1 m-30 -75.67 160.64 29.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.92 -63.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.737 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.6 tp60 -138.06 111.21 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.051 HG23 HD11 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -84.71 133.14 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.08 112.45 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.056 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.8 151.03 20.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.63 -177.94 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -57.27 19.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.881 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.19 168.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.44 -112.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.6 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -52.2 -52.37 52.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.633 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.7 -29.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.865 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.83 -45.62 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.677 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -55.24 -50.62 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.1 mtmt -56.69 -37.61 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.404 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.65 -43.48 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.5 mmm -67.42 -33.86 76.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.7 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -64.56 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.11 -175.85 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 142.63 28.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.5 p-80 -139.14 143.83 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -138.0 -37.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -142.96 114.79 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.3 t -98.19 137.03 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.39 119.01 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -142.61 -175.48 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 30.0 p-10 -84.14 165.92 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.937 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.23 -13.88 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 2.5 m-20 -44.97 175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.565 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptt? -108.79 67.92 0.34 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.09 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.63 -31.16 70.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.448 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 5.1 mtp -152.11 121.84 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.2 t0 -123.64 170.71 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.6 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.32 -37.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.57 -64.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.56 -40.36 97.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.81 -47.65 76.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.928 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.21 -69.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -43.94 -32.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.79 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.587 ' HD3' HD21 ' A' ' 70' ' ' LEU . 18.3 mmm-85 -37.96 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.82 -52.2 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -97.68 123.69 51.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.0 -14.26 21.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.8 -47.53 80.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.08 -23.09 22.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.588 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.03 -18.55 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -1.73 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.59 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.6 147.48 25.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.02 172.22 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.776 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.86 135.35 18.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG22 ' A' ' 56' ' ' ILE . 22.5 mt -110.46 132.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.937 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.51 108.63 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.211 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.06 162.38 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.894 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -137.47 174.6 10.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.64 -15.18 10.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -117.33 -86.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.55 ' N ' HG23 ' A' ' 88' ' ' THR . . . 157.79 136.09 2.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.084 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.589 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 65.1 m-20 -140.94 79.2 1.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -58.68 -37.61 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.51 97.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.21 -48.64 79.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -62.85 -58.93 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -51.65 -27.25 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 23.0 mttt -69.63 -48.66 59.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -57.01 -51.73 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.698 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -54.05 -49.37 69.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.6 88.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.12 -53.06 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.928 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.01 39.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.664 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.23 157.51 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.85 -48.78 52.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.481 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -165.88 115.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.363 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.776 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -125.77 129.45 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.017 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.9 mm? -122.12 148.11 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.66 172.11 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -137.95 62.8 35.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.479 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 19.64 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.86 96.17 4.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -27.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -63.49 -41.08 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CB ' HG23 ' A' ' 113' ' ' THR . 4.0 tptt -74.96 -57.83 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.906 ' O ' HG23 ' A' ' 121' ' ' ILE . 8.7 tmm? -55.25 -54.68 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.1 tmtt? -56.38 -58.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.213 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.63 -36.34 66.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 1.017 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.79 -56.18 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.78 -41.28 79.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.5 -19.67 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.42 -48.15 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.74 -36.25 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' ' 121' ' ' ILE . 44.2 m-85 -85.47 -9.55 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -143.7 -82.72 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.771 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.13 99.53 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -59.68 -69.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.692 HD13 ' HD3' ' A' ' 32' ' ' LYS . 2.8 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.67 140.15 22.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.29 138.79 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.56 120.29 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.102 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.96 89.8 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.917 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.41 137.41 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -148.19 170.95 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.9 t0 -78.73 -11.03 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 136.29 19.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.89 -51.5 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.834 ' O ' HD12 ' A' ' 21' ' ' LEU . 70.0 p -39.91 -53.03 2.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -63.76 -53.77 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.77 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.3 tmm_? -63.94 -71.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.16 -31.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -65.87 -51.86 55.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -70.59 -46.31 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.072 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.08 -30.99 61.26 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 11.0 m-20 -75.08 -49.81 18.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.8 83.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -55.77 -48.79 74.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -59.71 -31.86 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.628 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 9.9 tt0 -73.93 -11.52 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.0 -48.5 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 119.82 61.57 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.997 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.3 p90 -76.72 171.51 14.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.692 ' HD3' HD13 ' A' ' 7' ' ' ILE . 3.9 tptt -85.06 -63.18 1.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.8 tt0 -143.24 97.36 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.102 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -72.39 139.66 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.42 115.41 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.77 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.68 147.81 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.76 -176.97 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.59 -57.44 17.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.917 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.72 168.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.61 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.2 pt-20 -51.43 -52.78 43.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.54 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.54 -44.89 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.589 1.181 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.568 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.29 -50.44 69.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -56.36 -37.77 70.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -44.74 90.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 58.4 mmm -67.44 -32.06 72.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.47 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.19 -62.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.54 -177.75 1.0 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.581 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 2.4 p-80 -136.59 147.43 46.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -140.37 -40.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.566 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 9.6 tp -140.1 111.86 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.68 135.8 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.99 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.71 120.43 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.76 -175.31 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' N ' ' OG ' ' A' ' 57' ' ' SER . 32.2 p-10 -86.72 167.55 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.924 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.52 -14.63 54.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 55.9 m-20 -43.71 174.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -108.35 67.53 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -74.91 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.34 -32.04 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.453 ' HB3' HD12 ' A' ' 69' ' ' LEU . 16.1 mtp -151.32 122.74 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -125.23 171.74 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.17 -37.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.74 -39.82 97.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.838 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.24 -47.44 78.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.471 0.748 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.69 -69.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -43.8 -32.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.96 68.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.04 -51.11 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 11.7 mmm180 -37.66 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.74 -49.99 7.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -100.21 123.09 48.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.596 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.1 -16.3 20.05 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -47.03 86.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.751 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.84 -23.55 22.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -60.04 -19.7 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -98.47 -6.68 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.5 155.11 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -98.08 172.06 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.819 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.2 136.27 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.99 ' HB ' HG22 ' A' ' 56' ' ' ILE . 6.5 mt -111.67 132.56 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.924 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.56 109.36 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -126.07 167.58 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.856 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -138.47 174.75 10.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 110.445 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -57.85 -16.06 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -118.71 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.47 135.59 1.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.661 ' HB3' HD23 ' A' ' 95' ' ' LEU . 53.8 m-20 -140.94 78.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -60.9 -37.13 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' A' ' 92' ' ' ASP . 3.4 mm? -67.6 -47.93 68.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.999 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.52 -59.99 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.486 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -50.62 -27.51 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.705 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -69.05 -48.83 61.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.83 -51.55 68.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.91 -48.63 72.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.86 92.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -41.07 -52.81 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.02 39.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.04 157.72 15.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 0.736 . . . . 0.0 109.353 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.9 t30 -70.49 -49.04 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.72 115.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.819 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.8 p -125.7 128.64 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.079 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -121.63 148.16 44.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.999 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.11 171.69 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.91 62.32 39.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.03 -160.45 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -94.01 19.14 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -120.1 96.95 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.29 -27.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -63.81 -40.85 97.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.594 ' CB ' HG23 ' A' ' 113' ' ' THR . 3.1 tppt? -75.44 -57.68 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.886 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -54.96 -54.23 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 20.4 tttt -57.3 -58.43 8.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -34.99 66.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.079 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.54 -56.79 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.99 -42.42 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.01 -19.32 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.75 -49.06 7.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.622 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -61.47 -29.73 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.68 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.517 HD13 ' HG2' ' A' ' 32' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.99 136.57 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.61 138.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -117.3 119.69 35.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.027 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.35 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.885 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.3 p -125.4 135.97 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.69 171.67 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.82 -10.76 59.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -148.04 134.0 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.628 HG12 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -51.45 -51.56 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 62.2 p -40.4 -53.26 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -64.38 -52.18 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.06 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -63.73 -71.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.122 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.122 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.02 -51.01 60.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.079 HD12 ' N ' ' A' ' 23' ' ' GLY . 2.9 pp -69.89 -44.02 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.079 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.58 -31.61 63.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.78 -47.7 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -48.26 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -55.19 -53.12 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 10.6 pt20 -57.83 -31.6 66.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.0 tt0 -77.31 -11.74 59.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -84.09 -49.85 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 149.11 49.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.37 1.044 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.711 ' CD1' ' HA ' ' A' ' 27' ' ' GLN . 4.3 p90 -70.99 137.67 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG2' HD13 ' A' ' 7' ' ' ILE . 4.5 mptt -84.77 -49.73 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.3 tp60 -145.37 96.81 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.72 133.13 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.86 113.6 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.06 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.16 148.43 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -134.19 -177.9 4.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.16 -57.18 20.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.885 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.03 168.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.6 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.25 -111.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.537 1.148 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.6 pt-20 -52.32 -52.45 53.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.05 -45.25 1.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.4 -50.42 69.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.95 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.75 -44.08 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.604 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.56 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -63.38 -48.13 79.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.63 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.39 -175.07 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.9 140.68 26.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -131.74 137.49 48.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 0.0 109.621 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -132.81 -39.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 11.6 tp -146.2 112.77 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.847 HG13 HD12 ' A' ' 10' ' ' LEU . 3.1 t -95.65 135.07 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.989 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.31 119.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -141.38 -175.16 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' N ' ' OG ' ' A' ' 57' ' ' SER . 14.1 p-10 -86.86 164.85 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.237 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.998 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.54 -14.41 56.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.758 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 65.8 m-20 -45.77 176.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.1 ptp -108.07 68.13 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.758 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.01 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.67 -30.36 69.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.451 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 4.1 mtt -152.15 122.19 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.9 t70 -124.11 171.76 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.75 -37.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.37 -64.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.91 -39.92 97.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.783 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.05 -48.16 76.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.1 tt -57.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -42.86 -32.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.19 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.45 66.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.798 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.66 -51.21 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.83 -30.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.54 -51.05 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -99.82 124.42 44.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -14.46 21.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -63.93 -47.45 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.58 -23.08 23.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.19 -19.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 -3.03 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.19 155.43 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -97.39 171.62 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.751 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -151.07 134.93 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.989 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.55 130.05 63.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.998 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -128.08 108.4 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.865 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.32 166.01 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.865 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.83 174.57 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.79 -13.9 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -115.71 -87.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.12 133.9 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.498 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 34.9 m-20 -141.13 78.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD3' ' CD ' ' A' ' 116' ' ' LYS . 54.9 mtm180 -57.59 -37.9 73.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.83 92.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -60.07 -48.08 83.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.983 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.24 -61.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.524 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -49.3 -28.42 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.7 mttm -69.16 -48.99 60.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.66 -53.45 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.783 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -53.67 -48.66 69.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.75 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.61 -53.41 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.64 39.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.705 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.24 157.67 15.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 5.2 t-20 -70.55 -50.9 32.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 9.2 m-80 -164.95 115.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -127.33 130.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.099 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -124.13 147.9 47.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.983 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.0 172.03 7.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -136.63 63.73 48.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.06 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -92.47 19.55 7.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -121.48 96.9 5.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -26.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 32.1 tt0 -64.29 -40.17 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.176 . . . . 0.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.595 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -75.27 -57.92 3.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.785 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.3 ttt -55.51 -53.04 61.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 9.1 ttpt -58.11 -58.88 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -35.67 67.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.099 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.6 -55.47 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -56.85 -42.5 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.18 -20.51 18.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.87 -45.81 9.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.61 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -62.55 -29.93 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.61 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.62 138.59 21.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.78 134.89 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 119.7 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.043 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.43 90.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.882 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.2 p -124.59 138.41 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -149.35 170.92 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.567 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -74.1 -21.43 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 138.07 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -52.15 -52.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.794 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.0 p -38.42 -52.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 m -64.19 -52.84 56.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.789 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.29 -31.86 0.09 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -66.84 -51.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.06 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -70.64 -45.16 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.06 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.71 -31.7 60.94 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -75.33 -48.13 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -48.23 69.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.71 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.4 mm? -54.72 -52.79 61.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.3 pt20 -59.95 -32.38 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -77.67 -11.68 59.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.66 -49.94 10.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.2 50.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.89 158.82 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 tt0 -137.32 111.47 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.043 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -83.94 133.3 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.73 113.2 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.789 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.98 150.45 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.3 -177.74 4.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.28 -56.97 21.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.882 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.32 168.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.81 -110.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.589 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.38 -53.27 38.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.286 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.1 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.79 -45.85 1.08 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.46 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -54.64 -50.66 67.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 11.2 mtmt -56.75 -37.31 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -59.1 -43.73 89.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.0 mmm -67.55 -33.29 74.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 111.046 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.37 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.09 -63.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.603 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.26 -176.48 0.71 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -136.4 144.52 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -137.21 -38.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -145.21 119.59 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -99.25 139.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.13 119.32 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -143.23 -175.71 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.4 t0 -89.39 172.25 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.983 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.5 -14.77 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 18.7 p-10 -42.21 172.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.539 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.03 68.74 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.99 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -63.13 -31.79 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.466 ' O ' HD13 ' A' ' 69' ' ' LEU . 14.4 mtp -148.1 117.08 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 67' ' ' LEU . 37.4 t0 -118.43 171.92 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.63 -39.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.86 -63.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.4 -41.28 98.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.802 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -56.14 -47.59 77.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.944 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -58.24 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -43.81 -31.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -50.0 69.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.811 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.88 -51.15 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.4 mmm180 -38.12 -30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.24 -53.32 5.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -95.18 123.71 56.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.0 -13.57 21.37 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -65.98 -46.22 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.811 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.43 -22.44 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.368 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.61 -23.3 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 0.93 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.62 145.54 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.11 172.09 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.764 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.6 138.65 23.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.4 mm -110.55 131.81 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.983 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.9 mm -128.25 109.73 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.64 168.72 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.9 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -140.84 174.86 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.445 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.467 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.78 -16.43 16.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -123.21 -86.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.42 134.73 1.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.545 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 21.8 m-20 -140.05 78.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -59.76 -33.45 71.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -57.63 -50.27 73.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.988 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -61.96 -58.8 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.488 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -50.1 -28.91 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.767 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.34 -51.24 54.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -52.81 -50.86 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.3 -43.04 70.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.21 -48.83 66.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.861 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -39.41 -44.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.944 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.08 44.39 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.12 158.17 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.24 -48.83 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.591 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.8 OUTLIER -166.43 116.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.764 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 9.8 p -128.9 127.28 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.141 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.34 148.21 45.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.988 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.08 172.5 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -132.42 64.33 71.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.99 -160.1 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.04 19.89 12.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.073 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.572 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.67 96.42 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.408 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.81 -27.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 9.7 mt-10 -64.16 -41.19 97.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.33 -57.53 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.928 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -55.15 -54.77 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 ttmm -56.49 -58.56 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.61 -35.36 65.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.141 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -59.42 -56.08 26.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.23 -42.01 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.75 -20.39 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.89 -48.82 7.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.56 -32.45 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.617 ' HE2' HD12 ' A' ' 121' ' ' ILE . 16.5 m-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HB ' ' HG3' ' A' ' 32' ' ' LYS . 4.1 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -151.23 141.78 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.05 137.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -118.96 119.18 33.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.094 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.61 90.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.918 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.5 p -125.46 137.17 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.82 171.21 16.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -78.63 -17.52 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.34 134.02 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.04 -52.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.5 p -39.69 -52.03 2.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.16 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.4 m -64.07 -53.97 41.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.066 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.75 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.25 -30.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.1 mt -67.0 -51.87 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.75 -46.2 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.3 -31.7 62.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 17.6 m-20 -74.74 -49.07 22.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.43 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -56.13 -48.47 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.35 -31.66 70.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.617 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 5.4 tt0 -73.6 -10.98 60.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.75 -47.94 9.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.75 61.07 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.6 p90 -76.19 172.85 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG3' ' HB ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -86.02 -63.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.5 tt0 -143.15 97.33 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.094 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.01 140.54 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.66 116.2 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.436 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.066 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.65 146.74 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.885 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -132.01 -177.07 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -57.27 17.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.918 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.22 168.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 0.787 . . . . 0.0 109.351 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.18 -112.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.2 pt-20 -50.58 -52.43 39.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.635 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.09 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.885 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.61 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -57.08 -36.15 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.64 -44.91 94.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.619 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.03 -32.92 74.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.43 77.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.69 -63.83 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.624 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.37 29.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.659 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.44 145.3 45.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.665 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -141.13 -40.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 1.4 tp -141.05 111.42 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -96.11 136.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.37 120.11 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.0 t -142.09 -175.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.937 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.9 p-10 -86.14 163.13 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.966 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.07 -14.61 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.749 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 75.9 m-20 -46.03 176.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.581 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.8 ptt? -108.4 68.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.749 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.1 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.552 1.817 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.12 -30.92 70.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 18.2 mtp -150.94 119.84 6.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.8 t0 -120.13 172.46 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.79 -37.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.616 1.198 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.32 -63.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.86 -41.88 99.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.724 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -54.66 -48.79 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.937 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.31 -69.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -42.7 -31.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.39 66.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.063 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.803 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.64 -50.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.651 ' HD3' HD21 ' A' ' 70' ' ' LEU . 22.4 mmm-85 -38.01 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 110.197 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.83 -53.38 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.95 123.95 55.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.507 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -11.8 21.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.599 1.841 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.559 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -67.22 -45.92 75.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.803 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.7 -22.47 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.81 -20.63 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.14 3.79 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.24 154.63 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.434 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -96.0 170.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.745 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.3 134.49 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.13 130.31 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.966 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.64 106.87 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -129.65 162.39 28.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.884 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.71 174.47 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.62 -15.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.94 -85.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 88' ' ' THR . . . 159.35 136.23 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.618 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 76.2 m-20 -141.28 77.88 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -57.29 -36.34 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 98' ' ' LYS . . . -65.09 -39.97 93.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.59 -49.48 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.814 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.34 -60.08 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.526 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 25.0 mttt -67.52 -49.6 62.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -54.14 -51.92 62.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.63 -42.41 67.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.73 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 70' ' ' LEU . 3.0 mm? -40.29 -45.92 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.937 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.79 46.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.406 1.066 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.83 157.98 15.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.8 t-20 -71.11 -49.58 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.34 115.44 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.745 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.7 p -127.25 129.94 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.027 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.7 146.78 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.814 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.19 171.74 7.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.2 OUTLIER -138.28 62.69 32.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -160.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.26 19.13 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.6 95.62 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.93 -26.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 8.1 tt0 -64.33 -41.2 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.556 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.04 -57.93 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' ILE . 9.6 tmm? -54.84 -53.91 49.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.3 ttmm -57.52 -58.47 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.99 -35.37 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.027 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.55 -56.77 17.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.15 -42.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.83 -20.77 16.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -86.74 -49.29 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.627 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.6 -30.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.627 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.454 HG21 ' HD3' ' A' ' 32' ' ' LYS . 4.4 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.23 142.21 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.758 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.96 137.25 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.72 119.28 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.099 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.18 89.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.4 p -125.32 136.8 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.67 171.42 15.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -13.94 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -146.65 135.89 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.86 -52.01 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.808 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.9 p -39.45 -53.54 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -63.61 -53.35 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.067 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -64.01 -71.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.75 -30.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.1 -52.04 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.74 -46.11 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.75 -30.92 63.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.3 m-20 -74.88 -48.91 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.94 78.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.1 mm? -55.4 -47.31 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.3 pt20 -61.74 -31.44 71.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.618 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -74.39 -11.65 60.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -84.37 -49.0 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.193 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.71 61.14 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.938 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.8 p90 -76.42 171.38 14.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD3' HG21 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -85.59 -62.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 96.05 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.099 HG23 HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -72.83 140.99 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -142.25 116.48 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.067 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.63 148.76 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.09 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.1 -57.55 16.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.915 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.58 168.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 0.802 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.98 -111.6 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.7 pt-20 -51.65 -52.68 46.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.639 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -38.15 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.39 -45.49 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.3 tpt -55.55 -50.91 68.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.8 mtmt -56.12 -36.21 67.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.9 -44.9 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.607 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.33 -32.59 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.11 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -64.62 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.226 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.636 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.15 -175.01 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.92 141.63 27.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.559 1.821 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.609 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 5.0 p-80 -135.67 142.93 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -139.35 -42.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.632 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CG1' ' A' ' 9' ' ' VAL . 4.2 tp -138.5 112.31 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 10' ' ' LEU . 4.0 t -97.61 136.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.984 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.48 119.91 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -142.62 -175.03 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.1 p30 -90.37 171.3 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.881 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.85 -14.34 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.78 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 19.7 m-80 -41.38 172.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.6 ptt? -108.38 66.61 0.29 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.78 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.0 -159.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.42 1.747 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.89 -31.12 72.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 15.7 mtt -151.73 124.4 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 67' ' ' LEU . 16.7 t70 -127.14 172.69 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.16 -38.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.3 mm? -72.6 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.5 -40.28 97.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.0 mp -56.13 -48.56 75.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -57.95 -70.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -43.88 -31.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.49 -49.68 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.99 -49.99 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.609 ' HD3' HD21 ' A' ' 70' ' ' LEU . 12.3 mmm180 -37.59 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.1 -50.71 8.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.2 m-20 -100.38 124.34 43.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.601 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.97 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -62.57 -46.63 87.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.789 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.38 -23.13 22.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.601 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.34 -18.69 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -5.26 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.66 154.43 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -98.84 171.03 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.839 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.45 135.39 18.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.984 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.0 mt -108.62 132.97 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.881 HG22 ' CD1' ' A' ' 59' ' ' PHE . 12.8 mm -126.97 109.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.399 1.062 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.927 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.02 164.55 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.927 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -139.3 174.64 10.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.59 -15.57 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.63 -88.86 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG23 ' A' ' 88' ' ' THR . . . 164.09 133.53 1.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 50.9 m-20 -141.11 79.08 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -41.24 87.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.47 91.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -59.86 -48.8 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -63.72 -61.57 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.46 -28.09 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.639 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 12.2 mttm -69.16 -52.06 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -50.88 -56.39 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 1.029 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -36.48 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -65.06 -53.19 49.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -39.64 -57.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.783 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.16 43.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.945 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.54 154.65 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.18 -49.71 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.403 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.9 m-20 -165.99 114.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 1.029 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.95 129.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.081 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.3 mm? -121.89 150.57 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.6 172.01 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -133.37 66.1 73.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.94 -160.54 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -93.2 19.96 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -123.13 96.25 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.35 -26.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 7.1 tt0 -64.74 -40.9 96.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.584 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.53 -57.07 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.777 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.4 tmm? -55.56 -53.94 50.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 3.7 tttp -57.57 -58.27 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -36.11 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.081 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.89 -54.99 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.402 1.064 . . . . 0.0 109.222 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.96 -43.0 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -55.74 -20.23 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.18 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -89.58 -40.82 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.546 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.64 -30.58 50.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.607 ' HE2' HD12 ' A' ' 121' ' ' ILE . 52.0 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.589 HD13 ' HE3' ' A' ' 32' ' ' LYS . 1.9 mp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.29 133.6 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -121.96 133.57 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.908 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.1 119.4 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.27 89.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.0 p -126.18 138.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.09 171.18 16.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.43 -9.05 58.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 134.57 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.9 -52.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.789 ' O ' HD12 ' A' ' 21' ' ' LEU . 78.1 p -39.47 -52.81 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.617 1.198 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -64.54 -52.25 58.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.79 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.069 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.119 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.4 -31.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.119 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -67.39 -51.5 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.071 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -69.99 -44.65 68.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.071 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.64 -32.07 61.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.7 m-20 -75.58 -46.52 31.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -48.09 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.727 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.84 -53.26 58.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.0 pt20 -58.83 -33.29 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.9 tt0 -77.84 -12.29 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.36 -49.88 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.15 49.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.934 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.13 159.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE3' HD13 ' A' ' 7' ' ' ILE . 5.7 mmtt -81.61 -63.96 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.758 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -137.19 110.12 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.052 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.1 132.99 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.8 113.5 9.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.79 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 153.9 17.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.02 -178.12 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.59 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.822 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.86 167.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.38 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 13.41 -108.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.609 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.9 pt-20 -50.57 -53.34 31.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 110.297 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.659 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -39.12 -27.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.53 -43.12 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -55.61 -50.38 70.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.03 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' MET . 17.3 mtpt -56.97 -37.0 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.09 -43.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.626 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 6.5 mmt -68.89 -33.35 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.97 80.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.2 -62.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -176.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 141.69 26.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.61 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.7 p-80 -134.6 142.01 46.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.561 1.163 . . . . 0.0 109.554 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -134.55 -37.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -149.23 119.72 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.7 t -98.16 140.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.18 118.88 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.552 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.13 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' N ' ' OG ' ' A' ' 57' ' ' SER . 13.3 t70 -91.86 171.93 8.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.789 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -80.46 -16.39 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.739 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m120 -40.56 170.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.544 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.1 ptp -109.28 68.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.99 -160.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.36 -32.13 70.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.377 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.9 mtt -148.6 117.94 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.6 t70 -118.97 171.92 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.91 -39.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.5 mm? -72.87 -63.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.03 -42.03 98.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.579 1.175 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.722 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -55.46 -47.94 75.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.94 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.41 -68.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.43 -32.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -63.14 -51.31 66.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.786 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.82 -51.76 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HD3' HD21 ' A' ' 70' ' ' LEU . 14.3 mmm180 -38.22 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.04 -50.61 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -99.86 124.61 43.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.578 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.01 -15.44 20.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -64.55 -45.2 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.786 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -90.92 -22.81 20.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.31 -21.62 36.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 -1.29 35.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 152.72 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.18 172.1 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.773 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.29 137.13 21.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.967 ' HB ' HG22 ' A' ' 56' ' ' ILE . 8.3 mm -110.95 130.3 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 85' ' ' ILE . 1.1 mm -129.35 108.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.2 171.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.873 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.6 t -142.22 174.37 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.69 -15.97 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.88 -86.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.545 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.51 135.97 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.172 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 38.3 m-20 -140.2 78.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.454 ' CD ' ' HE3' ' A' ' 116' ' ' LYS . 1.1 mtm105 -60.2 -36.52 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -64.91 -39.89 94.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.644 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.79 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -64.92 -59.11 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -48.91 -30.13 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.835 ' O ' HD23 ' A' ' 102' ' ' LEU . 7.8 mttm -68.0 -50.66 54.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.565 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -53.46 -50.18 65.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.67 72.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.11 -49.11 66.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.879 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.2 mm? -39.55 -46.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.94 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.21 46.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.45 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 37.3 t30 -71.38 -49.45 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.528 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.02 115.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 10.9 p -129.44 127.04 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.7 mm? -122.93 146.73 47.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.009 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.7 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.065 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.501 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -132.91 65.78 74.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.503 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.99 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.29 19.27 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.77 93.67 4.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.16 -29.41 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.9 tm-20 -63.61 -41.24 98.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.527 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.4 -58.03 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.866 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.7 ttp -54.61 -54.36 42.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 6.9 ttmt -56.92 -57.95 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.45 -35.16 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.29 -56.2 25.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -58.42 -42.44 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -56.04 -20.44 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.42 -48.58 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.72 -31.5 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.612 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.536 HD13 ' CE ' ' A' ' 32' ' ' LYS . 2.6 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.7 138.7 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.64 132.78 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.924 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.2 120.96 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.03 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.97 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.1 p -124.84 138.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -147.07 172.04 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.1 t0 -78.89 -16.73 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.07 -51.83 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.788 ' O ' HD12 ' A' ' 21' ' ' LEU . 61.6 p -40.5 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 m -63.86 -52.44 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.0 tmm_? -64.75 -72.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.56 -31.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.5 mt -68.58 -51.4 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 19' ' ' ARG . 4.3 pp -70.5 -48.14 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -53.73 -32.78 47.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.2 m-20 -75.64 -46.78 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.686 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.1 mm? -55.29 -52.62 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.81 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.2 pt20 -59.03 -32.63 69.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.487 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 tm0? -77.57 -11.76 59.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.005 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.59 -49.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.7 49.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.005 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -77.35 158.96 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' CE ' HD13 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -80.87 -64.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -136.34 112.13 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.03 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -85.11 134.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -138.05 112.59 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.5 151.73 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -139.01 -178.06 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.29 -56.68 22.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.865 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.61 169.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.28 -111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.0 pt-20 -51.91 -52.74 47.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.756 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.647 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -37.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.13 -45.49 1.09 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.616 1.197 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.687 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 tpt -55.27 -50.77 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 0.824 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -56.39 -37.63 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.406 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.66 -44.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 59.4 mmm -66.94 -33.43 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.81 82.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.73 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.2 -176.11 0.66 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 142.88 28.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.753 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.564 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -137.83 143.77 41.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -137.01 -38.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -144.37 115.37 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.924 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -97.33 136.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.983 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.8 119.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -143.01 -175.58 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' N ' ' OG ' ' A' ' 57' ' ' SER . 38.7 p-10 -84.88 168.99 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.907 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.02 -14.87 53.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.756 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 30.4 m-80 -42.48 172.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.7 ptt? -108.58 67.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.756 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.98 -159.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.813 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.89 -31.21 70.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.435 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 25.9 mtp -152.35 122.78 7.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' LEU . 14.3 t70 -125.29 170.94 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -26.64 -38.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.66 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.73 -40.46 98.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.839 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.16 -47.86 74.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.904 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.25 -69.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -44.19 -32.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.95 -49.68 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.58 -51.03 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.598 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.2 mmm-85 -38.23 -30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.66 -49.44 9.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -101.9 123.17 44.73 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -12.35 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.53 72.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.15 -22.88 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.583 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.69 -19.16 25.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.51 -5.71 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.55 153.61 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 106' ' ' ASN . . . -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.834 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.0 134.78 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.983 ' HB ' HG22 ' A' ' 56' ' ' ILE . 5.8 mt -112.59 133.13 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.907 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -125.14 109.75 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -119.76 161.96 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.906 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -136.74 174.72 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.13 -15.0 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -122.99 -88.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.05 135.23 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 31.2 m-20 -140.28 78.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -59.92 -36.17 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.3 91.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.08 -49.81 76.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.34 -59.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -50.05 -27.75 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.65 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -69.26 -48.98 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.755 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.51 -48.27 72.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.7 91.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.79 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.904 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.9 39.24 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.53 157.37 16.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 62.7 t30 -70.83 -49.22 48.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 72.6 m-80 -165.09 117.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.834 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.2 p -127.9 128.51 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.064 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.2 mm? -120.9 147.12 45.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.013 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.92 172.03 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -134.68 65.1 65.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.96 -160.4 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.21 20.73 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.08 95.73 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.03 -26.55 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 5.4 mt-10 -63.1 -42.2 99.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.707 ' HB2' HG23 ' A' ' 113' ' ' THR . 0.9 OUTLIER -75.66 -57.14 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.85 ' O ' HG23 ' A' ' 121' ' ' ILE . 11.3 tmm? -54.77 -53.92 48.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 ttmt -57.92 -58.65 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.42 -35.05 64.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.064 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.11 -55.4 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.16 -42.02 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -56.17 -20.03 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.39 -48.79 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.234 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.597 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.3 -32.03 49.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.4 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.433 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 3.5 mp . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.69 139.89 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.53 134.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 122.73 46.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.034 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.91 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -125.01 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.97 171.82 14.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.5 t0 -77.8 -17.39 57.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 135.07 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.74 -51.94 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.6 p -39.66 -53.24 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 m -63.78 -52.83 58.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.044 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.35 -71.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.125 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.66 -30.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.125 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.6 mt -67.67 -52.28 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.084 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.33 -46.16 64.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.084 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.23 -30.9 61.65 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 14.1 m-20 -75.4 -47.19 28.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -47.36 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.684 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.78 -51.03 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.715 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.9 pt20 -61.36 -32.72 72.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 11.0 tp60 -77.04 -11.61 59.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.036 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.09 -49.1 12.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.46 50.92 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.036 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.73 162.04 28.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 mptt -80.71 -64.2 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.755 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -137.67 112.4 8.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.034 HG23 HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -86.09 133.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.15 112.89 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.044 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.33 150.35 21.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.876 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.38 -177.85 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.27 19.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.92 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.16 168.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.373 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.34 -111.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.595 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.46 -52.71 44.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.72 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.876 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.61 -45.24 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 44' ' ' MET . 2.2 tpp -55.38 -50.7 69.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.8 mtmt -56.53 -37.27 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -59.09 -44.56 91.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 mmm -66.63 -32.33 73.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.85 81.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -63.89 -63.41 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.601 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.74 -176.44 0.76 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.33 29.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.649 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -138.04 149.01 45.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.998 ' C ' HD13 ' A' ' 54' ' ' LEU . 10.7 t-160 -141.14 -50.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.89 110.7 11.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.852 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -94.28 135.03 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.11 119.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -141.54 -175.27 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 19.8 p-10 -86.78 163.66 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 1.009 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.81 -14.43 58.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.745 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 52.4 m-20 -45.61 176.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.573 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.41 68.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.745 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.01 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -59.46 -31.93 69.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.514 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.2 mtt -148.69 117.25 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 25.2 t0 -117.16 172.67 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.47 -38.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.45 -63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.55 -41.59 98.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.78 -48.33 75.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.3 tt -57.17 -69.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 1.19 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -42.7 -32.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.09 -50.24 69.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.831 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.24 -51.39 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 10.0 mmm180 -38.28 -29.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.23 -53.6 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.8 OUTLIER -94.47 123.75 57.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.91 -14.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.576 1.829 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.549 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.92 -45.27 82.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.831 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -89.88 -22.74 21.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.462 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.42 -24.95 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -98.84 -2.52 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.42 153.82 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.416 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -94.67 172.14 8.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.21 133.86 17.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 16.5 mt -109.31 130.25 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.009 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -126.81 106.64 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.01 161.7 30.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.881 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.58 174.57 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.13 -13.45 12.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -115.82 -85.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.02 134.02 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.622 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 86.3 m-20 -140.65 77.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -57.03 -34.91 68.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.97 86.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.58 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.53 -49.15 78.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.836 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.84 -59.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.41 -30.94 8.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.805 ' O ' HD23 ' A' ' 102' ' ' LEU . 31.9 mttt -67.17 -50.91 59.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.37 -50.7 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.504 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.39 -44.7 68.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.71 72.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.865 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.3 mm? -40.8 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.83 44.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.699 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.74 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.384 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 80' ' ' LYS . 2.3 t30 -71.09 -49.4 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.616 HD22 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -165.47 115.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.765 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -126.28 129.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.054 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.38 148.74 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.826 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -107.33 172.79 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -137.76 62.75 36.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.482 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.0 Cg_endo -74.99 -161.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.48 19.26 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.78 96.25 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.78 -26.81 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 12.3 tt0 -64.04 -40.11 95.58 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.598 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.29 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.91 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.7 ttt -55.03 -54.43 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.1 ttmt -56.28 -59.13 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.64 -36.22 66.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.054 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.42 -56.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.37 -41.68 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -56.38 -20.34 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.1 -47.71 8.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.616 HG23 HD22 ' A' ' 106' ' ' ASN . 0.3 OUTLIER -60.08 -35.64 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.717 ' HE2' HD12 ' A' ' 121' ' ' ILE . 45.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HG2' ' A' ' 32' ' ' LYS . 1.4 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.58 136.99 18.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -127.04 135.71 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.91 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -115.86 122.84 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.029 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -118.16 90.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.91 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -125.29 137.57 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.478 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.41 171.95 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 t70 -78.75 -14.52 59.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.35 133.46 22.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -51.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 69.9 p -40.28 -52.55 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 m -64.34 -52.63 57.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.046 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.46 -71.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.55 -31.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.121 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.51 -51.84 46.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.44 -45.75 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.232 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.86 -31.09 60.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.0 m-20 -75.6 -47.45 26.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.31 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.0 mm? -55.68 -52.34 64.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.7 pt20 -59.19 -32.66 70.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 17.7 tt0 -78.7 -11.45 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.18 -49.88 12.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.199 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.57 47.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.582 1.176 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.08 158.8 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.84 ' HG2' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -81.64 -64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.779 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.1 mm-40 -135.43 114.41 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -87.91 133.69 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -135.21 113.21 11.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.046 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.15 149.18 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.83 -177.63 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.12 -57.2 19.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.91 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.77 168.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.73 -112.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 22.2 pt-20 -51.74 -52.47 48.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.64 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -29.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.57 -45.71 1.03 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 44' ' ' MET . 1.2 tpt -54.98 -50.52 68.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.8 mtmt -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.95 -43.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 22.6 mmt -67.54 -32.77 73.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.49 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.19 -175.88 0.66 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 141.69 27.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.58 144.96 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 1.001 ' C ' HD13 ' A' ' 54' ' ' LEU . 3.0 t-160 -137.07 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.001 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -128.67 110.86 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 HD12 ' A' ' 10' ' ' LEU . 4.5 t -95.44 133.74 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -135.49 120.33 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.7 t -141.98 -175.08 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 57' ' ' SER . 22.3 p-10 -87.91 164.56 15.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.995 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.37 -13.93 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.77 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 56.8 m-80 -45.08 176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.6 ptm -107.91 67.57 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.77 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.7 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.2 mtt -149.83 121.85 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.6 t0 -123.98 172.24 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.32 -37.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.59 -64.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.56 -39.21 97.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.809 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.5 mp -56.58 -48.39 77.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.882 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.22 -69.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.48 -31.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.07 -49.83 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.42 -51.37 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 8.0 mmm180 -37.76 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.57 -52.06 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -97.86 123.47 51.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.6 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -12.95 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.494 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -64.11 -46.24 85.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -91.79 -22.97 19.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.6 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.27 -20.35 41.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -0.78 29.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.73 154.26 19.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -95.15 172.0 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.777 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.91 134.73 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 17.5 mt -109.43 130.04 63.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.995 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.69 108.48 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.25 165.25 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.48 174.4 10.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.46 -13.88 16.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -115.52 -86.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.38 135.18 1.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.384 1.053 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 75.3 m-20 -141.61 79.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -58.76 -36.98 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -65.33 -39.83 92.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.38 -47.44 85.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.005 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.15 -60.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.499 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -50.76 -27.75 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.673 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.8 mttt -69.72 -49.43 53.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.35 -53.66 54.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.85 -48.36 70.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.58 91.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.882 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.33 40.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.72 157.21 16.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -70.55 -49.73 44.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.432 ' OD1' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.4 116.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -128.05 128.63 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.04 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -122.22 147.56 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.005 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.56 171.86 7.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.4 OUTLIER -138.18 63.79 37.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -90.35 19.41 5.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.382 1.051 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.591 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.88 96.87 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -52.14 -26.85 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mt-10 -64.26 -40.85 96.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.591 ' CB ' HG23 ' A' ' 113' ' ' THR . 11.9 tptp -74.79 -58.01 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.901 ' O ' HG23 ' A' ' 121' ' ' ILE . 3.2 ttt -55.25 -54.79 38.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -56.13 -58.32 8.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.21 -36.24 68.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.04 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.74 -56.37 22.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.8 -42.09 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.96 -20.08 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.55 -47.41 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.18 -35.35 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.725 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.4 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.627 HD13 ' HG3' ' A' ' 32' ' ' LYS . 2.0 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -152.6 129.07 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.983 HG13 HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -114.6 136.26 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.889 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -116.5 120.02 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.049 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.36 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.912 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.75 139.26 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.24 171.18 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -77.78 -16.88 58.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -142.29 134.0 26.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.82 -53.15 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.786 ' O ' HD12 ' A' ' 21' ' ' LEU . 73.7 p -38.71 -52.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -63.93 -53.5 49.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.085 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.2 tmm_? -64.48 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.117 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.07 -31.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.117 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.3 mt -67.77 -52.3 38.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.5 pp -70.98 -46.67 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -58.13 -30.72 64.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.9 m-20 -74.91 -47.76 28.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.35 69.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 ' CE2' ' A' ' 31' ' ' PHE . 1.3 mm? -56.52 -52.05 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.9 pt20 -59.41 -32.59 70.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 18.7 tp60 -74.5 -14.97 60.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -74.2 -47.75 33.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.79 52.24 0.3 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.575 1.172 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CE1' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -75.13 179.28 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.96 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -83.17 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.0 tt0 -141.63 111.65 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.049 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -86.73 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.41 115.54 9.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.085 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.04 148.37 23.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.86 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.01 -177.28 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.44 -57.61 15.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.912 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.65 168.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.35 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 16.9 pt-20 -50.9 -52.53 41.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.642 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.92 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.86 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.38 -45.28 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -55.02 -50.46 69.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' MET . 9.4 mtmt -56.42 -37.79 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -43.83 90.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.643 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 57.6 mmm -67.88 -32.5 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -62.79 -48.0 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.19 -63.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.627 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.61 -175.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 142.21 27.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.639 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -139.52 135.75 33.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -32.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.983 HD13 HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.87 119.29 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.7 t -105.24 136.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.34 118.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.14 -176.44 4.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' N ' ' OG ' ' A' ' 57' ' ' SER . 20.3 p-10 -82.12 164.03 21.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 1.005 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.86 -14.32 58.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 54.5 m-20 -44.72 175.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.4 ptt? -108.74 67.77 0.34 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.98 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.61 -35.63 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.1 mtp -146.08 120.87 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -124.1 170.77 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.576 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -28.43 -36.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.57 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.739 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.26 -39.58 97.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.861 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.44 -48.46 76.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.34 -70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -43.94 -32.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.31 -49.78 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -58.31 -51.44 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.577 ' HD3' HD21 ' A' ' 70' ' ' LEU . 15.7 mmm180 -38.26 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -87.06 -47.96 8.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -100.32 119.76 58.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.95 -14.96 21.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.27 88.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.673 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.73 -22.95 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.576 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.42 -21.26 50.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.449 ' CA ' ' HE2' ' A' ' 80' ' ' LYS . 13.1 pttt -96.72 -6.22 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.97 155.36 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.35 172.27 7.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.82 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.0 134.1 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.8 mt -110.6 132.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.005 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.76 108.34 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.26 160.68 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.861 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.53 174.61 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.38 -14.46 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -115.39 -85.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.11 135.17 1.99 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 80.1 m-20 -141.39 79.41 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -37.06 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.82 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.3 -47.97 81.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -64.58 -59.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.48 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.38 -27.23 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.666 ' O ' HD23 ' A' ' 102' ' ' LEU . 8.2 mttm -70.25 -48.93 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.374 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.79 -51.97 65.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.793 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.75 -48.8 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.29 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.25 -53.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.916 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.2 39.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.8 157.13 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.47 -48.72 47.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.494 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -164.74 116.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.82 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.7 p -126.2 129.78 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -122.28 147.75 45.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.95 172.01 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -137.64 62.9 37.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.0 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.49 19.66 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.75 96.99 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.89 -26.53 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -63.86 -40.69 97.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.587 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.24 -57.29 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.893 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.5 tmm? -55.63 -53.76 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 tttp -57.48 -58.68 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.87 -35.61 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.86 -56.01 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.893 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.23 -42.35 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.64 -20.34 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.33 -49.44 7.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.389 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.32 -31.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 32' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.577 ' HZ2' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.76 137.52 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.21 130.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -111.76 118.91 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.018 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.42 90.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.868 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.28 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.142 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.02 171.35 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.42 -9.05 58.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 1.198 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.73 136.5 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.44 -52.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.7 p -39.36 -53.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -64.02 -52.31 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.807 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.5 tmm_? -64.57 -71.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.9 -31.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -66.7 -52.09 48.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.087 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.29 -45.2 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.087 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.11 -31.76 59.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.3 m-20 -75.92 -47.13 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -47.68 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.78 -53.66 53.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.699 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.5 pt20 -58.4 -33.09 69.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -76.47 -12.31 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.51 -49.45 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.87 50.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.943 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.34 158.71 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -81.01 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -136.38 111.91 9.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.018 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -84.96 131.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 114.24 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.807 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -98.05 152.86 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.851 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.29 -177.9 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.82 -56.47 24.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.868 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.46 168.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.63 -111.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.9 pt-20 -51.45 -52.94 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.648 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.89 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.851 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.08 1.06 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.547 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -55.61 -50.63 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 12.9 mtmt -56.79 -35.43 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 50' ' ' ASN . 1.0 OUTLIER -60.0 -44.4 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.7 -33.53 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.06 75.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.92 -64.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.199 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.622 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.9 -175.51 0.57 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.02 140.54 25.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 4.3 p-80 -134.58 147.39 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -142.33 -38.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.26 115.82 7.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.817 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.29 137.58 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.963 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -138.46 118.36 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -143.24 -175.53 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.2 p-10 -88.27 171.11 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.932 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.09 -13.71 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 m120 -41.65 172.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.536 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -108.64 67.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.054 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.02 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.69 -31.57 71.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 9.9 mtp -150.08 121.69 8.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.549 1.155 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 67' ' ' LEU . 10.6 t70 -123.74 171.57 9.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.79 -39.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -73.01 -64.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -59.53 -40.69 96.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.705 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -54.98 -48.17 73.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.905 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -56.77 -68.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -43.64 -31.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -49.82 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.828 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -56.92 -49.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -38.29 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.47 -53.17 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.563 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.98 123.3 59.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.06 -14.51 20.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' CE1' ' A' ' 52' ' ' HIS . . . -67.08 -46.57 73.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.828 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -87.71 -22.51 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -55.69 -26.91 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 5.95 38.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -100.36 151.88 20.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.65 171.49 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.768 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.68 138.38 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.963 ' HB ' HG22 ' A' ' 56' ' ' ILE . 10.7 mm -109.49 131.99 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.932 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.5 mm -127.63 109.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -122.12 164.74 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.92 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.67 174.22 10.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.9 -15.24 28.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.63 -87.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.16 135.98 1.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 40.0 m-20 -140.74 79.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -34.78 76.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.64 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.82 -48.76 80.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.042 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.35 -58.88 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -52.56 -26.61 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.643 ' O ' HD23 ' A' ' 102' ' ' LEU . 16.6 mttp -69.88 -48.89 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.452 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -56.67 -53.73 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.89 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.53 -47.75 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.54 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -41.12 -52.79 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.905 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 153.13 38.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.675 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -92.3 156.58 17.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -70.76 -49.31 48.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -166.2 116.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.89 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -128.77 129.33 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.088 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -123.46 148.31 46.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.042 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.87 173.21 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.7 OUTLIER -133.75 64.36 67.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.429 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -160.26 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.443 1.76 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -94.63 19.55 9.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.551 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.91 95.06 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.12 -27.69 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.1 mm-40 -64.3 -41.31 96.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -74.97 -57.65 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.882 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -55.31 -54.78 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.5 OUTLIER -56.32 -58.41 8.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -35.36 67.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.088 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.33 -56.02 27.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.06 -41.78 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.05 -20.28 16.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.94 -48.6 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -60.56 -32.85 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.607 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.5 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.22 140.87 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.48 138.42 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.928 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.19 120.7 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.053 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.43 89.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -125.28 136.89 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.02 170.51 17.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.1 t70 -78.12 -16.4 58.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.23 134.09 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.63 -51.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.806 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.4 p -39.98 -52.95 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -63.63 -53.86 44.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.081 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.66 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.98 -30.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -66.78 -51.74 52.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.067 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.95 -46.6 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.067 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.07 -30.31 60.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.4 -50.18 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.248 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.62 83.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.2 mm? -56.03 -48.57 75.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.41 -31.28 70.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -74.59 -13.21 60.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -83.18 -48.86 10.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.5 61.38 0.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.9 p90 -76.56 171.05 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 3.1 mptt -85.02 -62.61 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -143.5 97.61 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.053 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.5 139.33 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -140.22 115.28 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.081 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.45 146.66 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.65 -177.45 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -57.98 15.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.94 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.01 168.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.89 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.578 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.7 pt-20 -51.86 -52.3 50.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.628 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.2 mm-40 -37.46 -29.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.07 -45.15 1.04 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.462 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 1.2 tpt -55.47 -50.55 69.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.3 mtmt -56.48 -37.04 69.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.06 -45.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.649 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.5 mmm -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.63 82.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -64.46 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.0 -177.55 0.97 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 145.14 30.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.598 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.6 OUTLIER -138.17 148.23 44.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.633 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -140.81 -40.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 3.9 tp -139.76 111.02 7.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.826 HG13 HD12 ' A' ' 10' ' ' LEU . 2.8 t -96.11 134.87 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -136.72 121.37 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.6 t -142.75 -175.06 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.55 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.7 p-10 -86.03 162.9 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 1.053 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.71 -14.9 58.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.724 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 72.3 m-20 -46.78 176.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.2 ptt? -108.83 69.38 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.13 -160.11 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -58.86 -32.58 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 69' ' ' LEU . 2.9 mtt -148.34 118.52 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 67' ' ' LEU . 23.2 t70 -118.78 173.11 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.21 -38.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.21 -64.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 0.72 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.31 -41.85 98.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.71 -47.51 76.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.4 tt -57.31 -69.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -42.77 -31.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.89 -49.75 69.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.91 -51.01 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.649 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.4 mmm180 -38.03 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -88.4 -48.64 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.623 ' HB3' HG22 ' A' ' 79' ' ' THR . 7.5 m-20 -86.29 118.41 70.3 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.635 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.98 -12.69 21.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' ' CE ' ' A' ' 81' ' ' LYS . . . -72.57 -47.99 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.734 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.95 -17.2 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -49.75 -29.87 8.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.53 ' CE ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -103.33 -8.84 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.592 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -82.1 144.61 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.487 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -92.46 172.27 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.32 134.37 16.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.992 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.7 mt -109.9 129.74 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.053 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -125.51 105.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.893 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.73 163.03 28.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.893 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.65 174.53 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.21 -12.88 14.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.14 -86.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.182 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.49 ' N ' HG23 ' A' ' 88' ' ' THR . . . 152.23 133.62 1.97 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.628 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 71.0 m-20 -141.12 78.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 93' ' ' ARG . 12.4 mtm105 -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 98' ' ' LYS . . . -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -60.87 -50.2 74.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.06 -59.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.527 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -49.68 -31.21 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.792 ' O ' HD23 ' A' ' 102' ' ' LEU . 5.1 mttp -66.88 -50.23 63.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.99 -50.63 63.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.23 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.46 -48.54 64.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.859 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -40.05 -45.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 136.72 46.23 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.92 157.55 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 22.8 t30 -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.05 115.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.778 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -128.11 128.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.076 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -124.26 145.33 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.84 171.89 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CB ' ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.12 63.03 48.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.419 1.747 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.52 19.62 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.05 96.46 5.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.459 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.0 -26.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.1 tt0 -64.4 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.583 ' CB ' HG23 ' A' ' 113' ' ' THR . 8.1 tptt -74.89 -56.82 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.916 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.3 tmt? -55.79 -55.1 36.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 5.6 tttp -56.21 -58.12 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.49 -36.44 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.076 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.51 -57.15 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.13 -41.96 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.05 -19.45 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.51 -49.28 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.95 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.722 ' HE2' HD12 ' A' ' 121' ' ' ILE . 38.4 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.648 HD13 ' HD2' ' A' ' 32' ' ' LYS . 2.2 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.91 135.11 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.895 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -123.54 135.23 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.69 119.3 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.035 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.66 90.61 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -126.04 136.03 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -145.0 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 7.8 t0 -78.67 -13.08 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -146.49 134.52 21.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.76 -52.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 66.4 p -40.21 -52.39 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -53.08 54.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.099 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.8 tmm_? -64.37 -71.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.47 -31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.44 -52.12 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.094 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -69.97 -45.68 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.094 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.38 -31.17 62.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.1 m-20 -75.53 -46.75 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 1.4 mm? -55.02 -48.67 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.531 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.0 pt20 -62.93 -32.01 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.4 tt0 -76.38 -12.29 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.075 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.043 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.4 -49.25 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 131.09 53.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.404 1.065 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.043 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.97 157.16 33.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.648 ' HD2' HD13 ' A' ' 7' ' ' ILE . 1.5 mmtt -77.14 -64.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.797 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.1 mm-40 -135.52 111.82 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 HD11 ' A' ' 11' ' ' ILE . 1.3 mt -86.98 132.92 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 113.53 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.099 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.86 149.78 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.896 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.66 -177.96 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.23 -56.94 20.88 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.909 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.64 168.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.08 -110.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -51.98 -53.19 44.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.637 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.8 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.896 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.68 -46.15 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tpp -54.65 -50.85 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' MET . 7.8 mtmt -56.17 -36.81 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -60.27 -43.53 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.648 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.6 mmm -68.04 -32.86 73.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.33 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.67 -62.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.33 -177.0 0.82 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 141.74 27.04 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.604 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 3.3 p-80 -135.97 143.49 44.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -134.79 -38.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -144.78 118.46 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.4 t -98.59 139.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.11 119.07 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -143.16 -174.54 4.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.0 p30 -89.7 171.16 9.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.84 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.43 -14.37 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.767 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 20.9 m-20 -41.85 173.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.43 67.46 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.767 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.03 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.43 -31.86 71.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.5 mtp -149.74 122.1 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.39 1.056 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 67' ' ' LEU . 17.2 t0 -124.55 172.01 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.23 -39.58 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.451 1.095 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.4 mm? -72.36 -63.78 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.58 -41.11 98.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.829 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -54.88 -48.63 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -58.54 -69.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -43.45 -32.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.29 -51.03 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -57.63 -50.89 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.596 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.3 mmm-85 -37.64 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.32 -50.02 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.1 m-20 -101.09 123.28 45.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -14.7 21.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.61 -46.89 83.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.19 -23.21 22.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.54 -19.55 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -4.56 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.94 148.25 23.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 172.77 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.795 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.64 137.57 22.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.959 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.6 mm -109.64 131.98 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.84 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.3 mm -126.65 108.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.929 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -118.48 162.97 17.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.929 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.83 173.92 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.43 -14.24 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.09 -89.01 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.552 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.04 133.96 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.851 ' HB3' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -141.63 79.32 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.474 ' NH1' HG21 ' A' ' 113' ' ' THR . 1.8 mtm180 -61.09 -38.25 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.508 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -62.7 -34.93 78.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.851 HD23 ' HB3' ' A' ' 92' ' ' ASP . 4.6 mm? -67.2 -48.33 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.032 ' CG2' ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.56 -61.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.506 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -48.98 -29.75 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.22 -52.78 36.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -51.31 -56.26 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 1.044 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -35.3 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -66.61 -53.25 36.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.695 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.1 mt -39.14 -56.94 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.789 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.01 43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.585 1.178 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.986 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.97 154.9 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.43 -50.69 29.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.537 HD22 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -166.27 115.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 1.044 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -129.86 127.66 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -121.96 150.22 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.032 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . . . -110.62 171.26 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -129.72 69.88 81.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.438 ' HG3' ' CD ' ' A' ' 93' ' ' ARG . 18.1 Cg_endo -74.98 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -96.39 21.86 8.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.909 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -127.03 99.34 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.4 pp -50.22 -28.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.2 mt-10 -63.2 -40.57 97.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.909 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.4 mmtt -74.64 -58.73 3.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.209 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.927 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 ttt -55.29 -55.05 35.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 13.0 tttt -55.43 -58.19 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.69 -37.35 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.13 -56.63 19.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -57.88 -41.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.74 -20.4 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -87.08 -49.36 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.537 HG23 HD22 ' A' ' 106' ' ' ASN . 0.3 OUTLIER -59.4 -37.39 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.724 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.9 m-85 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.454 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.6 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.57 137.88 28.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.844 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.37 136.02 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.65 120.72 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.041 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.52 89.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -124.59 136.89 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -145.91 171.75 14.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.226 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.89 -4.6 53.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -155.57 134.32 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.25 -51.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 12.6 p -40.29 -53.02 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.3 m -63.99 -53.1 55.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.778 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.26 -71.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.6 -31.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.5 mt -67.01 -51.92 48.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.78 -45.68 64.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.076 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.62 -31.53 60.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.0 m-20 -75.69 -47.15 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -47.54 68.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.73 -53.05 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.778 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.6 pt20 -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 32.2 tp60 -76.5 -13.17 60.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.004 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.24 -49.66 12.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 134.88 51.94 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.004 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.67 161.51 28.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mptt -81.09 -63.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -138.72 109.07 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.041 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.62 131.65 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.11 112.86 10.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.778 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 151.74 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.85 -178.28 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -56.8 22.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.884 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.74 168.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 0.785 . . . . 0.0 109.378 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.33 -110.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.5 pt-20 -51.62 -53.41 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.649 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 1.3 mm-40 -38.21 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.17 -45.2 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -55.32 -50.62 69.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 111.022 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 44' ' ' MET . 0.1 OUTLIER -56.6 -37.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -59.34 -44.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.655 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.3 mmm -67.99 -33.14 74.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.4 83.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -64.33 -63.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.593 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.43 -176.67 0.78 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 143.33 28.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.592 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -136.89 142.01 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -132.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.73 118.44 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.902 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.1 t -98.76 138.4 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.991 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.01 119.12 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.544 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.3 t -142.91 -175.24 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.544 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.9 p-10 -89.72 171.7 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.941 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.33 -13.27 55.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 111.046 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.766 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 m120 -41.61 171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.533 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.67 67.28 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.01 -159.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.18 -31.58 72.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 6.6 mtp -149.79 123.28 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.664 ' O ' ' N ' ' A' ' 67' ' ' LEU . 22.6 t0 -126.8 171.46 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.38 -39.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.65 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.69 -40.05 97.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.813 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.32 -48.03 74.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.93 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.05 -69.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.73 -32.18 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.09 -50.41 66.23 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.4 -51.34 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.56 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -85.54 -52.57 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.47 121.81 64.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.03 -14.91 20.94 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.79 -45.89 80.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -88.98 -23.23 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.11 -21.05 44.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.91 0.03 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.53 149.01 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -93.07 171.93 8.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.804 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.97 135.53 19.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.991 ' HB ' HG22 ' A' ' 56' ' ' ILE . 20.7 mt -108.76 132.16 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.941 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.9 mm -126.47 110.33 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.904 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.27 166.23 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.904 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.7 t -141.15 174.64 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.48 -17.4 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.561 ' H ' HG23 ' A' ' 88' ' ' THR . 1.2 mt-30 -120.65 -86.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 88' ' ' THR . . . 162.03 136.62 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 29.8 m-20 -140.57 79.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 0.8 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -59.63 -35.71 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.326 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.4 92.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -59.05 -48.39 81.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.81 -59.4 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.476 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -51.4 -26.58 8.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.677 ' O ' HD23 ' A' ' 102' ' ' LEU . 3.0 mttt -70.1 -49.24 52.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.64 -53.74 54.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.57 -47.45 73.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.53 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.93 -51.93 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.93 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.3 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.64 157.44 15.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.6 t-20 -70.46 -50.17 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.5 116.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.906 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -127.51 128.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -120.49 148.18 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.29 172.66 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.1 OUTLIER -137.4 64.61 46.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -160.68 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -91.85 19.93 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -122.13 95.83 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -50.98 -27.01 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.6 mm-40 -64.26 -41.0 97.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.561 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.44 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.917 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 tmt? -55.11 -54.29 45.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -57.05 -58.44 8.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.52 -36.95 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.21 -57.25 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -58.86 -41.73 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.97 -19.98 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.35 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.87 -47.94 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.87 -35.95 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.735 ' HE2' HD12 ' A' ' 121' ' ' ILE . 41.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.66 HG21 ' HD3' ' A' ' 32' ' ' LYS . 3.7 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.0 140.34 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.815 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.92 134.66 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.02 121.34 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.055 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.22 90.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.886 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -124.0 137.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.4 171.63 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.532 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 2.1 t0 -74.54 -22.92 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 138.24 35.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.48 -52.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.9 p -38.21 -53.05 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 m -63.88 -53.51 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.786 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.03 -71.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.98 -31.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.8 mt -67.17 -51.65 51.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -71.1 -45.23 64.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.51 -31.55 63.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.6 m-20 -75.85 -47.06 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.78 68.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.69 -53.52 55.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 9.1 pt20 -58.85 -33.07 70.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.6 tm0? -75.55 -11.92 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.22 -49.5 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.5 50.97 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -75.43 159.62 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HG21 ' A' ' 7' ' ' ILE . 4.5 mptt -80.83 -63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -137.68 111.65 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.055 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -84.86 132.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.85 113.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.786 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.88 151.24 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.12 -177.59 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.2 -57.03 20.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.886 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.99 168.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.216 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -110.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.8 pt-20 -51.53 -53.26 39.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.643 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.97 -28.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.25 -45.38 1.09 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.25 -50.85 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 10.9 mtmt -56.25 -37.42 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.602 1.189 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -44.52 91.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 51.6 mmm -67.03 -33.29 75.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.68 83.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -64.41 -63.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.604 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.37 -176.37 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.01 143.24 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.628 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -138.12 143.46 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 7' ' ' ILE . 10.5 t-80 -136.02 -39.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -143.25 117.27 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -98.51 138.29 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.54 118.61 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.98 -175.28 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.1 p-10 -87.51 171.52 10.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.918 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.71 -14.61 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 27.3 p-10 -40.88 171.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.16 68.26 0.31 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.02 -159.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.46 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.421 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 31.1 mtp -149.37 122.41 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 67' ' ' LEU . 9.0 t70 -125.43 172.39 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.1 -39.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.71 -64.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.42 -39.94 96.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.828 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.6 -48.43 74.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.912 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.77 -69.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.88 -31.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 110.23 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.4 70.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.63 -51.71 69.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.592 ' HD3' HD21 ' A' ' 70' ' ' LEU . 16.3 mmm180 -37.74 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.86 -51.47 6.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.6 m-20 -96.6 123.18 55.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.01 -15.06 20.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -64.09 -46.81 82.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.52 -23.01 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.436 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.2 -21.72 24.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.19 1.64 33.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.53 146.03 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.32 172.12 8.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.817 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.26 135.72 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.016 ' HB ' HG22 ' A' ' 56' ' ' ILE . 21.0 mt -108.92 132.16 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.918 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.6 mm -125.99 109.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.67 163.84 17.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.94 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.07 174.72 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -64.08 -13.35 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.11 -89.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 88' ' ' THR . . . 167.42 134.3 1.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 33.3 m-20 -140.9 79.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -62.49 -36.94 84.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.7 91.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 0.3 OUTLIER -59.11 -49.96 75.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -62.8 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.81 -27.03 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.0 mttm -69.99 -49.18 54.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.5 -53.63 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.887 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.38 -48.07 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.19 89.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -40.9 -53.67 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.912 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 154.09 39.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.422 1.076 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.59 157.33 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.08 -49.4 44.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.454 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -166.37 115.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.32 129.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.399 1.062 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.077 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.57 149.74 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.74 171.54 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.498 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -131.44 67.02 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.577 1.83 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.41 19.49 9.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -123.14 97.8 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.61 -26.92 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.5 mt-10 -64.24 -40.73 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.56 ' CB ' HG23 ' A' ' 113' ' ' THR . 2.2 tmtm? -75.43 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.823 ' O ' HG23 ' A' ' 121' ' ' ILE . 7.2 tmm? -55.29 -53.75 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -57.53 -58.91 6.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.49 -36.02 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.077 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.79 -55.07 39.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.93 -42.06 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -56.23 -20.77 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.75 -41.37 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.529 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.09 -32.07 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.589 ' HE2' HD12 ' A' ' 121' ' ' ILE . 48.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.434 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.76 141.26 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.52 131.15 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.91 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -112.98 122.01 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.051 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.47 90.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.4 137.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.4 t0 -79.38 -9.14 59.53 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.497 1.123 . . . . 0.0 109.381 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -149.03 132.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.71 -51.82 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 68.4 p -40.14 -53.28 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.8 m -64.3 -52.5 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 1.056 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.6 tmm_? -64.11 -71.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.06 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.4 mt -66.35 -51.94 52.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.083 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.32 -45.54 66.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 1.083 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.34 -30.78 61.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.92 -47.41 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 -47.75 68.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.16 -51.09 67.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 34' ' ' ILE . 4.1 pt20 -60.84 -32.68 72.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.5 -12.78 60.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.002 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.02 -49.58 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.75 53.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.002 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.1 m-30 -75.67 160.64 29.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.92 -63.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.737 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.6 tp60 -138.06 111.21 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.051 HG23 HD11 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -84.71 133.14 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.08 112.45 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.056 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.8 151.03 20.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.63 -177.94 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -57.27 19.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.881 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.19 168.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.44 -112.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.6 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -52.2 -52.37 52.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.633 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.7 -29.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.865 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.83 -45.62 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.677 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -55.24 -50.62 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.1 mtmt -56.69 -37.61 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.404 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.65 -43.48 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.5 mmm -67.42 -33.86 76.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.7 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -64.56 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.11 -175.85 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 142.63 28.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.5 p-80 -139.14 143.83 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -138.0 -37.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -142.96 114.79 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.3 t -98.19 137.03 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.39 119.01 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -142.61 -175.48 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 30.0 p-10 -84.14 165.92 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.937 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.23 -13.88 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 2.5 m-20 -44.97 175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.565 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptt? -108.79 67.92 0.34 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.09 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.63 -31.16 70.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.448 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 5.1 mtp -152.11 121.84 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.2 t0 -123.64 170.71 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.6 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.32 -37.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.57 -64.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.56 -40.36 97.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.81 -47.65 76.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.928 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.21 -69.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -43.94 -32.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.79 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.587 ' HD3' HD21 ' A' ' 70' ' ' LEU . 18.3 mmm-85 -37.96 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.82 -52.2 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -97.68 123.69 51.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.0 -14.26 21.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.8 -47.53 80.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.08 -23.09 22.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.588 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.03 -18.55 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -1.73 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.59 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.6 147.48 25.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.02 172.22 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.776 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.86 135.35 18.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG22 ' A' ' 56' ' ' ILE . 22.5 mt -110.46 132.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.937 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.51 108.63 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.211 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.06 162.38 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.894 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -137.47 174.6 10.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.64 -15.18 10.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -117.33 -86.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.55 ' N ' HG23 ' A' ' 88' ' ' THR . . . 157.79 136.09 2.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.084 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.589 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 65.1 m-20 -140.94 79.2 1.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -58.68 -37.61 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.51 97.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.21 -48.64 79.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -62.85 -58.93 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -51.65 -27.25 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 23.0 mttt -69.63 -48.66 59.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -57.01 -51.73 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.698 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -54.05 -49.37 69.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.6 88.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.12 -53.06 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.928 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.01 39.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.664 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.23 157.51 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.85 -48.78 52.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.481 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -165.88 115.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.363 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.776 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -125.77 129.45 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.017 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.9 mm? -122.12 148.11 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.66 172.11 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -137.95 62.8 35.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.479 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 19.64 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.86 96.17 4.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -27.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -63.49 -41.08 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CB ' HG23 ' A' ' 113' ' ' THR . 4.0 tptt -74.96 -57.83 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.906 ' O ' HG23 ' A' ' 121' ' ' ILE . 8.7 tmm? -55.25 -54.68 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.1 tmtt? -56.38 -58.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.213 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.63 -36.34 66.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 1.017 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.79 -56.18 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.78 -41.28 79.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.5 -19.67 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 120' ' ' ALA . . . -88.42 -48.15 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.74 -36.25 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' ' 121' ' ' ILE . 44.2 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ptm . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.53 0.205 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.81 -38.85 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.14 -166.69 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.71 ' HB1' ' CG ' ' A' ' 32' ' ' LYS . . . -53.29 -21.11 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' ALA . 20.3 tt0 -36.09 -50.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.191 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -54.31 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.692 HD13 ' HD3' ' A' ' 32' ' ' LYS . 2.8 mp -79.09 131.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.67 140.15 22.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.29 138.79 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.56 120.29 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.102 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.96 89.8 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.917 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.41 137.41 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -148.19 170.95 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.9 t0 -78.73 -11.03 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 136.29 19.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.89 -51.5 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.834 ' O ' HD12 ' A' ' 21' ' ' LEU . 70.0 p -39.91 -53.03 2.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -63.76 -53.77 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.77 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.3 tmm_? -63.94 -71.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.16 -31.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -65.87 -51.86 55.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -70.59 -46.31 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.072 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.08 -30.99 61.26 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 11.0 m-20 -75.08 -49.81 18.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.8 83.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -55.77 -48.79 74.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.4 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -59.71 -31.86 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.628 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 9.9 tt0 -73.93 -11.52 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.0 -48.5 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 119.82 61.57 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.997 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.3 p90 -76.72 171.51 14.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.71 ' CG ' ' HB1' ' A' ' 4' ' ' ALA . 3.9 tptt -85.06 -63.18 1.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.8 tt0 -143.24 97.36 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.102 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -72.39 139.66 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.42 115.41 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.77 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.68 147.81 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.76 -176.97 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.59 -57.44 17.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.917 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.72 168.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.542 1.151 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.61 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.2 pt-20 -51.43 -52.78 43.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.54 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.54 -44.89 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.589 1.181 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.568 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.29 -50.44 69.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 0.803 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -56.36 -37.77 70.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -44.74 90.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 58.4 mmm -67.44 -32.06 72.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.47 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.19 -62.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.54 -177.75 1.0 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.581 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 2.4 p-80 -136.59 147.43 46.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -140.37 -40.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.566 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 9.6 tp -140.1 111.86 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.68 135.8 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.99 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.71 120.43 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.76 -175.31 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' N ' ' OG ' ' A' ' 57' ' ' SER . 32.2 p-10 -86.72 167.55 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.924 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.52 -14.63 54.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 55.9 m-20 -43.71 174.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -108.35 67.53 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -74.91 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.34 -32.04 71.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.453 ' HB3' HD12 ' A' ' 69' ' ' LEU . 16.1 mtp -151.32 122.74 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -125.23 171.74 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.17 -37.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.74 -39.82 97.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.838 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.24 -47.44 78.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.471 0.748 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.69 -69.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -43.8 -32.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.96 68.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.04 -51.11 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 11.7 mmm180 -37.66 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.74 -49.99 7.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -100.21 123.09 48.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.596 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.1 -16.3 20.05 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -47.03 86.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.751 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.84 -23.55 22.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -60.04 -19.7 54.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.388 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -98.47 -6.68 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.5 155.11 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -98.08 172.06 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.819 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.2 136.27 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.99 ' HB ' HG22 ' A' ' 56' ' ' ILE . 6.5 mt -111.67 132.56 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.924 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -127.56 109.36 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.856 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -126.07 167.58 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.856 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -138.47 174.75 10.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 110.445 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -57.85 -16.06 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -118.71 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.47 135.59 1.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.661 ' HB3' HD23 ' A' ' 95' ' ' LEU . 53.8 m-20 -140.94 78.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -60.9 -37.13 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' A' ' 92' ' ' ASP . 3.4 mm? -67.6 -47.93 68.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.999 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.52 -59.99 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.486 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -50.62 -27.51 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.705 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -69.05 -48.83 61.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.83 -51.55 68.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.91 -48.63 72.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.86 92.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -41.07 -52.81 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.02 39.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.04 157.72 15.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 0.736 . . . . 0.0 109.353 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.9 t30 -70.49 -49.04 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.72 115.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.819 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.8 p -125.7 128.64 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.079 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -121.63 148.16 44.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.999 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.11 171.69 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.91 62.32 39.71 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.2 Cg_endo -75.03 -160.45 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -94.01 19.14 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -120.1 96.95 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.29 -27.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -63.81 -40.85 97.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.594 ' CB ' HG23 ' A' ' 113' ' ' THR . 3.1 tppt? -75.44 -57.68 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.886 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -54.96 -54.23 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 20.4 tttt -57.3 -58.43 8.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -34.99 66.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.079 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.54 -56.79 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.99 -42.42 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -56.01 -19.32 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.784 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.75 -49.06 7.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.622 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -61.47 -29.73 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.68 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 -91.89 -14.08 30.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -140.6 -80.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.784 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.2 99.14 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -61.1 -71.11 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.45 0.167 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -82.24 -43.55 17.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -145.89 -166.7 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 33' ' ' GLN . . . -53.62 -20.25 4.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -38.73 -47.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -80.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.528 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -67.16 129.03 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.99 136.57 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.345 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.61 138.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -117.3 119.69 35.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.027 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.35 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.885 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.3 p -125.4 135.97 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.593 1.183 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.69 171.67 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.82 -10.76 59.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -148.04 134.0 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.628 HG12 HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -51.45 -51.56 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 62.2 p -40.4 -53.26 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -64.38 -52.18 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.06 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -63.73 -71.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.122 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.122 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.02 -51.01 60.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.079 HD12 ' N ' ' A' ' 23' ' ' GLY . 2.9 pp -69.89 -44.02 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.079 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.58 -31.61 63.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.78 -47.7 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -48.26 69.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -55.19 -53.12 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 10.6 pt20 -57.83 -31.6 66.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.0 tt0 -77.31 -11.74 59.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -84.09 -49.85 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 149.11 49.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.37 1.044 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.711 ' CD1' ' HA ' ' A' ' 27' ' ' GLN . 4.3 p90 -70.99 137.67 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG2' HD13 ' A' ' 7' ' ' ILE . 4.5 mptt -84.77 -49.73 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.3 tp60 -145.37 96.81 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.027 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.72 133.13 30.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.86 113.6 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.06 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.16 148.43 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.877 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -134.19 -177.9 4.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.16 -57.18 20.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.885 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.03 168.26 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 0.744 . . . . 0.0 109.362 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.6 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.25 -111.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.537 1.148 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.6 pt-20 -52.32 -52.45 53.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.631 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.877 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.05 -45.25 1.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.4 -50.42 69.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.95 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.75 -44.08 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.604 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.56 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -63.38 -48.13 79.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.63 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.39 -175.07 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -74.9 140.68 26.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -131.74 137.49 48.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.163 . . . . 0.0 109.621 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -132.81 -39.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 11.6 tp -146.2 112.77 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.847 HG13 HD12 ' A' ' 10' ' ' LEU . 3.1 t -95.65 135.07 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.989 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.31 119.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -141.38 -175.16 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' N ' ' OG ' ' A' ' 57' ' ' SER . 14.1 p-10 -86.86 164.85 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.237 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.998 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.54 -14.41 56.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.758 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 65.8 m-20 -45.77 176.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.1 ptp -108.07 68.13 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.758 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.01 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.67 -30.36 69.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.451 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 4.1 mtt -152.15 122.19 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.9 t70 -124.11 171.76 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.75 -37.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.659 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.37 -64.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.91 -39.92 97.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.783 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.05 -48.16 76.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.1 tt -57.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -42.86 -32.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.603 1.19 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.45 66.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.798 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.66 -51.21 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.83 -30.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.54 -51.05 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -99.82 124.42 44.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -14.46 21.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -63.93 -47.45 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.58 -23.08 23.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.19 -19.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 -3.03 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.19 155.43 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 106' ' ' ASN . . . -97.39 171.62 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.751 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -151.07 134.93 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.989 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.55 130.05 63.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.998 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -128.08 108.4 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.865 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.32 166.01 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.865 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.83 174.57 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.79 -13.9 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -115.71 -87.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.12 133.9 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.498 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 34.9 m-20 -141.13 78.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.753 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD3' ' CD ' ' A' ' 116' ' ' LYS . 54.9 mtm180 -57.59 -37.9 73.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.83 92.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -60.07 -48.08 83.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.983 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.24 -61.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.524 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -49.3 -28.42 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 1.7 mttm -69.16 -48.99 60.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.66 -53.45 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.783 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -53.67 -48.66 69.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.75 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.61 -53.41 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.64 39.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.705 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.24 157.67 15.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 5.2 t-20 -70.55 -50.9 32.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 9.2 m-80 -164.95 115.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -127.33 130.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.099 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -124.13 147.9 47.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.983 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.0 172.03 7.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -136.63 63.73 48.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.06 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -92.47 19.55 7.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -121.48 96.9 5.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -26.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 32.1 tt0 -64.29 -40.17 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 1.176 . . . . 0.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.595 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -75.27 -57.92 3.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.785 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.3 ttt -55.51 -53.04 61.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.58 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 9.1 ttpt -58.11 -58.88 6.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.04 -35.67 67.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.099 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.6 -55.47 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -56.85 -42.5 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.18 -20.51 18.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 127' ' ' ALA . . . -88.87 -45.81 9.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.61 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -62.55 -29.93 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.61 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 -91.07 5.92 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.45 -68.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 123' ' ' ALA . . . -74.79 -167.78 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.736 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -85.87 -78.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 129' ' ' LYS . 15.1 pttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.542 0.21 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -83.54 -40.71 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -144.21 -165.84 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' ILE . . . -54.07 -20.9 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.0 tm-20 -36.06 -45.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.337 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -36.43 -36.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 4' ' ' ALA . 4.1 mp -78.25 137.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.62 138.59 21.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.78 134.89 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 119.7 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.043 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.43 90.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.882 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.2 p -124.59 138.41 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -149.35 170.92 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.567 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -74.1 -21.43 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 138.07 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -52.15 -52.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.794 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.0 p -38.42 -52.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 m -64.19 -52.84 56.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.789 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.29 -31.86 0.09 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -66.84 -51.64 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.06 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -70.64 -45.16 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.06 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.71 -31.7 60.94 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.569 1.168 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -75.33 -48.13 24.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -48.23 69.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.71 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.4 mm? -54.72 -52.79 61.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.3 pt20 -59.95 -32.38 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -77.67 -11.68 59.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.66 -49.94 10.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.2 50.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.89 158.82 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 tt0 -137.32 111.47 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.043 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -83.94 133.3 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.73 113.2 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.375 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.789 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.98 150.45 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.3 -177.74 4.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.28 -56.97 21.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.882 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.32 168.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.81 -110.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.589 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.38 -53.27 38.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.286 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.1 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.79 -45.85 1.08 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.46 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -54.64 -50.66 67.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 11.2 mtmt -56.75 -37.31 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -59.1 -43.73 89.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.0 mmm -67.55 -33.29 74.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 111.046 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.37 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.09 -63.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.603 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.26 -176.48 0.71 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.4 OUTLIER -136.4 144.52 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -137.21 -38.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -145.21 119.59 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -99.25 139.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.13 119.32 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -143.23 -175.71 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.4 t0 -89.39 172.25 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.983 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.5 -14.77 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 18.7 p-10 -42.21 172.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.539 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.03 68.74 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.99 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -63.13 -31.79 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.466 ' O ' HD13 ' A' ' 69' ' ' LEU . 14.4 mtp -148.1 117.08 6.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 67' ' ' LEU . 37.4 t0 -118.43 171.92 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.63 -39.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.86 -63.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.4 -41.28 98.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.802 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -56.14 -47.59 77.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.944 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -58.24 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -43.81 -31.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -50.0 69.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.811 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.88 -51.15 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.4 mmm180 -38.12 -30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.24 -53.32 5.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -95.18 123.71 56.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.0 -13.57 21.37 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -65.98 -46.22 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.811 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.43 -22.44 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.368 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.61 -23.3 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 0.93 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.62 145.54 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.11 172.09 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.764 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.6 138.65 23.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.4 mm -110.55 131.81 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.983 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.9 mm -128.25 109.73 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.64 168.72 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.9 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -140.84 174.86 10.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.445 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.467 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.78 -16.43 16.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -123.21 -86.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.42 134.73 1.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.545 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 21.8 m-20 -140.05 78.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -59.76 -33.45 71.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -57.63 -50.27 73.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.988 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -61.96 -58.8 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.488 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -50.1 -28.91 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.767 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.34 -51.24 54.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -52.81 -50.86 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.3 -43.04 70.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.21 -48.83 66.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.861 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -39.41 -44.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.944 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.08 44.39 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.12 158.17 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.24 -48.83 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.591 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.8 OUTLIER -166.43 116.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.764 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 9.8 p -128.9 127.28 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.141 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.34 148.21 45.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.988 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.08 172.5 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -132.42 64.33 71.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 18.5 Cg_endo -74.99 -160.1 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.04 19.89 12.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.073 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.572 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.67 96.42 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.408 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.81 -27.99 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 9.7 mt-10 -64.16 -41.19 97.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.33 -57.53 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.928 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -55.15 -54.77 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 ttmm -56.49 -58.56 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.61 -35.36 65.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.141 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -59.42 -56.08 26.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.23 -42.01 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.75 -20.39 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.741 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.89 -48.82 7.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.56 -32.45 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.07 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.617 ' HE2' HD12 ' A' ' 121' ' ' ILE . 16.5 m-30 -88.8 -11.48 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.77 -80.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.741 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -76.94 99.13 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.508 ' CA ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -63.57 -72.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mtm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.532 0.206 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.36 -40.28 23.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.95 HD12 ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -147.59 -166.0 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.668 ' HB1' ' CG ' ' A' ' 32' ' ' LYS . . . -55.63 -21.25 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.718 ' CB ' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -34.82 -51.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' GLU . 2.1 tptt -38.78 -36.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 4' ' ' ALA . 4.1 mp -71.09 142.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -151.23 141.78 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.05 137.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -118.96 119.18 33.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.094 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.61 90.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.918 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.5 p -125.46 137.17 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.82 171.21 16.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -78.63 -17.52 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.34 134.02 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.04 -52.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.5 p -39.69 -52.03 2.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.16 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.4 m -64.07 -53.97 41.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.066 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.75 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.25 -30.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.1 mt -67.0 -51.87 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.75 -46.2 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.3 -31.7 62.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 17.6 m-20 -74.74 -49.07 22.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.43 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.3 mm? -56.13 -48.47 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.617 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.35 -31.66 70.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.617 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 5.4 tt0 -73.6 -10.98 60.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.75 -47.94 9.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.75 61.07 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CE2' HD12 ' A' ' 34' ' ' ILE . 3.6 p90 -76.19 172.85 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.668 ' CG ' ' HB1' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -86.02 -63.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.5 tt0 -143.15 97.33 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.094 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.01 140.54 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.66 116.2 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.436 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.066 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.65 146.74 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.885 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -132.01 -177.07 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.34 -57.27 17.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.918 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.22 168.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 0.787 . . . . 0.0 109.351 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.18 -112.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.2 pt-20 -50.58 -52.43 39.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.635 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -38.09 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.885 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.61 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -55.01 -49.71 70.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -57.08 -36.15 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.64 -44.91 94.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.619 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -66.03 -32.92 74.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.43 77.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.69 -63.83 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.624 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.37 29.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.659 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.44 145.3 45.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.665 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -141.13 -40.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 1.4 tp -141.05 111.42 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.868 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.0 t -96.11 136.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.37 120.11 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.0 t -142.09 -175.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.937 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' N ' ' OG ' ' A' ' 57' ' ' SER . 16.9 p-10 -86.14 163.13 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.966 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.07 -14.61 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.749 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 75.9 m-20 -46.03 176.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.581 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.8 ptt? -108.4 68.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.749 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.1 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.552 1.817 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.12 -30.92 70.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 18.2 mtp -150.94 119.84 6.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.8 t0 -120.13 172.46 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -27.79 -37.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.616 1.198 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.32 -63.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.86 -41.88 99.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.724 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -54.66 -48.79 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.937 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.31 -69.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -42.7 -31.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.96 -50.39 66.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.063 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.803 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.64 -50.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.651 ' HD3' HD21 ' A' ' 70' ' ' LEU . 22.4 mmm-85 -38.01 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 110.197 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.83 -53.38 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -94.95 123.95 55.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.507 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -11.8 21.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.599 1.841 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.559 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -67.22 -45.92 75.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.803 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.7 -22.47 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.81 -20.63 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.14 3.79 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.24 154.63 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.434 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -96.0 170.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.745 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.3 134.49 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.3 mt -109.13 130.31 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.966 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.64 106.87 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -129.65 162.39 28.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.884 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.71 174.47 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.62 -15.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.94 -85.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 88' ' ' THR . . . 159.35 136.23 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.618 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 76.2 m-20 -141.28 77.88 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -57.29 -36.34 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 98' ' ' LYS . . . -65.09 -39.97 93.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.59 -49.48 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.814 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.34 -60.08 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.526 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -49.53 -30.72 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 25.0 mttt -67.52 -49.6 62.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -54.14 -51.92 62.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.63 -42.41 67.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.73 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.899 ' HB3' HD13 ' A' ' 70' ' ' LEU . 3.0 mm? -40.29 -45.92 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.937 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.79 46.96 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.406 1.066 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.83 157.98 15.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.8 t-20 -71.11 -49.58 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -165.34 115.44 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.745 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 8.7 p -127.25 129.94 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.027 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.7 146.78 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.814 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -104.19 171.74 7.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.2 OUTLIER -138.28 62.69 32.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -160.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.26 19.13 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.6 95.62 4.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -50.93 -26.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 8.1 tt0 -64.33 -41.2 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.556 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.04 -57.93 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' ILE . 9.6 tmm? -54.84 -53.91 49.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.3 ttmm -57.52 -58.47 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.99 -35.37 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.027 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.55 -56.77 17.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.15 -42.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.83 -20.77 16.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.787 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -86.74 -49.29 7.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.627 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.6 -30.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.627 ' HE2' HD12 ' A' ' 121' ' ' ILE . 15.9 m-30 -91.55 -18.57 23.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.39 1.056 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.503 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -134.57 -81.66 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.467 1.104 . . . . 0.0 111.061 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.787 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -76.84 99.79 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.726 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -56.08 -68.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.472 ' CB ' ' HB2' ' A' ' 6' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.499 0.19 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -82.12 -35.36 28.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -140.75 -165.75 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.737 ' HB1' ' HG2' ' A' ' 32' ' ' LYS . . . -53.87 -21.03 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' ALA . 16.7 tt0 -36.54 -48.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 9.2 tttt -40.6 -39.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 4' ' ' ALA . 4.4 mp -68.53 144.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.23 142.21 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.758 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.96 137.25 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.72 119.28 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.099 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.18 89.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.4 p -125.32 136.8 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.67 171.42 15.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -13.94 59.71 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -146.65 135.89 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.86 -52.01 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.808 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.9 p -39.45 -53.54 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -63.61 -53.35 53.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.067 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.0 tmm_? -64.01 -71.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.75 -30.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.3 mt -67.1 -52.04 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.74 -46.11 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.75 -30.92 63.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.3 m-20 -74.88 -48.91 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.94 78.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.1 mm? -55.4 -47.31 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.3 pt20 -61.74 -31.44 71.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.618 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -74.39 -11.65 60.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -84.37 -49.0 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.193 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.71 61.14 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.938 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.8 p90 -76.42 171.38 14.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.737 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 0.7 OUTLIER -85.59 -62.53 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 96.05 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.099 HG23 HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -72.83 140.99 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -142.25 116.48 9.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.067 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.63 148.76 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.09 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.1 -57.55 16.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.915 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.58 168.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 0.802 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.98 -111.6 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.7 pt-20 -51.65 -52.68 46.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.639 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -38.15 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.39 -45.49 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.3 tpt -55.55 -50.91 68.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 9.8 mtmt -56.12 -36.21 67.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.9 -44.9 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.607 ' HG3' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.33 -32.59 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.11 79.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -64.62 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.226 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.636 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.15 -175.01 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.92 141.63 27.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.559 1.821 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.609 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 5.0 p-80 -135.67 142.93 45.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -139.35 -42.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.632 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CG1' ' A' ' 9' ' ' VAL . 4.2 tp -138.5 112.31 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 10' ' ' LEU . 4.0 t -97.61 136.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.984 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.48 119.91 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -142.62 -175.03 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.1 p30 -90.37 171.3 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.881 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.85 -14.34 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.78 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 19.7 m-80 -41.38 172.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 61' ' ' MET . 2.6 ptt? -108.38 66.61 0.29 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.78 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.0 -159.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.42 1.747 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.89 -31.12 72.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 15.7 mtt -151.73 124.4 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 67' ' ' LEU . 16.7 t70 -127.14 172.69 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.16 -38.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.3 mm? -72.6 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.5 -40.28 97.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.557 1.161 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.0 mp -56.13 -48.56 75.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -57.95 -70.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -43.88 -31.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.49 -49.68 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.99 -49.99 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.609 ' HD3' HD21 ' A' ' 70' ' ' LEU . 12.3 mmm180 -37.59 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.1 -50.71 8.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.2 m-20 -100.38 124.34 43.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.601 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.97 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -62.57 -46.63 87.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.789 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.38 -23.13 22.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.601 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.34 -18.69 40.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -5.26 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.66 154.43 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -98.84 171.03 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.839 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.45 135.39 18.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.984 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.0 mt -108.62 132.97 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.881 HG22 ' CD1' ' A' ' 59' ' ' PHE . 12.8 mm -126.97 109.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.399 1.062 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.927 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.02 164.55 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.927 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -139.3 174.64 10.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.464 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.59 -15.57 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.63 -88.86 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG23 ' A' ' 88' ' ' THR . . . 164.09 133.53 1.5 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 50.9 m-20 -141.11 79.08 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -41.24 87.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.47 91.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -59.86 -48.8 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -63.72 -61.57 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.46 -28.09 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.639 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 12.2 mttm -69.16 -52.06 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -50.88 -56.39 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 1.029 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -36.48 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -65.06 -53.19 49.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -39.64 -57.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.783 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.16 43.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.945 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.54 154.65 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.18 -49.71 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.403 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.9 m-20 -165.99 114.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.029 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.95 129.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.081 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.3 mm? -121.89 150.57 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.6 172.01 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -133.37 66.1 73.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.94 -160.54 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -93.2 19.96 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -123.13 96.25 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.35 -26.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 7.1 tt0 -64.74 -40.9 96.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.584 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.53 -57.07 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.777 ' O ' HG23 ' A' ' 121' ' ' ILE . 6.4 tmm? -55.56 -53.94 50.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 3.7 tttp -57.57 -58.27 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -36.11 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.081 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -55.89 -54.99 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.402 1.064 . . . . 0.0 109.222 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.96 -43.0 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -55.74 -20.23 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.18 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 127' ' ' ALA . . . -89.58 -40.82 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.546 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.64 -30.58 50.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.607 ' HE2' HD12 ' A' ' 121' ' ' ILE . 52.0 m-85 -91.96 -41.14 10.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.488 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -92.16 -49.91 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 123' ' ' ALA . . . -76.71 99.23 5.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.538 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -58.46 -67.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.587 0.232 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -82.02 -38.46 24.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.47 -166.83 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 32' ' ' LYS . . . -53.13 -21.64 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -33.87 -49.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -56.91 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -76.19 133.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.29 133.6 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -121.96 133.57 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.908 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.1 119.4 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -114.27 89.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.0 p -126.18 138.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.09 171.18 16.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.43 -9.05 58.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.97 134.57 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.9 -52.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.789 ' O ' HD12 ' A' ' 21' ' ' LEU . 78.1 p -39.47 -52.81 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.617 1.198 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -64.54 -52.25 58.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.79 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.53 -71.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.069 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.119 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.4 -31.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.119 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -67.39 -51.5 51.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.071 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.1 pp -69.99 -44.65 68.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.071 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.64 -32.07 61.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.7 m-20 -75.58 -46.52 31.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -48.09 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.727 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.84 -53.26 58.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.0 pt20 -58.83 -33.29 70.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.9 tt0 -77.84 -12.29 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.36 -49.88 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 137.15 49.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.934 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -76.13 159.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE3' HD13 ' A' ' 7' ' ' ILE . 5.7 mmtt -81.61 -63.96 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.758 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -137.19 110.12 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.052 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.1 132.99 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.8 113.5 9.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.79 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 153.9 17.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.887 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.02 -178.12 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.59 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.822 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.86 167.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.38 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 13.41 -108.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.609 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 17.9 pt-20 -50.57 -53.34 31.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 110.297 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.659 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -39.12 -27.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.887 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.53 -43.12 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -55.61 -50.38 70.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 111.03 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' MET . 17.3 mtpt -56.97 -37.0 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.434 HG23 HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -59.09 -43.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.626 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 6.5 mmt -68.89 -33.35 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.97 80.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.2 -62.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.91 -176.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 141.69 26.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.61 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.7 p-80 -134.6 142.01 46.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.561 1.163 . . . . 0.0 109.554 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -134.55 -37.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -149.23 119.72 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.7 t -98.16 140.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.18 118.88 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.552 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.1 t -142.13 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' N ' ' OG ' ' A' ' 57' ' ' SER . 13.3 t70 -91.86 171.93 8.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.789 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -80.46 -16.39 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.739 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m120 -40.56 170.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.544 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.1 ptp -109.28 68.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.99 -160.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.36 -32.13 70.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.377 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.9 mtt -148.6 117.94 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 20.6 t70 -118.97 171.92 7.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.91 -39.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.5 mm? -72.87 -63.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.03 -42.03 98.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.579 1.175 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.722 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -55.46 -47.94 75.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.94 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.41 -68.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.43 -32.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -63.14 -51.31 66.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.786 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -57.82 -51.76 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HD3' HD21 ' A' ' 70' ' ' LEU . 14.3 mmm180 -38.22 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.04 -50.61 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -99.86 124.61 43.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.578 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.01 -15.44 20.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.942 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -64.55 -45.2 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.786 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -90.92 -22.81 20.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.31 -21.62 36.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 -1.29 35.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 152.72 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.18 172.1 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.773 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.29 137.13 21.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.967 ' HB ' HG22 ' A' ' 56' ' ' ILE . 8.3 mm -110.95 130.3 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 85' ' ' ILE . 1.1 mm -129.35 108.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.2 171.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.873 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.6 t -142.22 174.37 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.69 -15.97 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.88 -86.93 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.545 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.51 135.97 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.172 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 38.3 m-20 -140.2 78.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.454 ' CD ' ' HE3' ' A' ' 116' ' ' LYS . 1.1 mtm105 -60.2 -36.52 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' LYS . . . -64.91 -39.89 94.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.644 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.79 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -64.92 -59.11 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -48.91 -30.13 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.835 ' O ' HD23 ' A' ' 102' ' ' LEU . 7.8 mttm -68.0 -50.66 54.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.565 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -53.46 -50.18 65.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.67 72.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -67.11 -49.11 66.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.879 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.2 mm? -39.55 -46.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.94 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.21 46.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.45 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 37.3 t30 -71.38 -49.45 41.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.528 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.02 115.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.773 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 10.9 p -129.44 127.04 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.7 mm? -122.93 146.73 47.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.009 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.7 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.065 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.501 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -132.91 65.78 74.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.503 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.99 -161.83 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.29 19.27 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -120.77 93.67 4.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.16 -29.41 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.9 tm-20 -63.61 -41.24 98.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.527 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -75.4 -58.03 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.866 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.7 ttp -54.61 -54.36 42.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 111.003 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 6.9 ttmt -56.92 -57.95 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.45 -35.16 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.29 -56.2 25.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -58.42 -42.44 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -56.04 -20.44 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.42 -48.58 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.72 -31.5 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.612 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.1 m-30 -88.81 -11.49 44.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.469 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.28 -80.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.809 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.53 100.23 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.557 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -56.64 -70.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' H3 ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -84.4 -14.05 50.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -109.4 -167.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.562 ' HB1' ' CG ' ' A' ' 32' ' ' LYS . . . -52.44 -21.39 3.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -39.7 -53.25 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.506 ' N ' ' H3 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -57.1 -49.05 77.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.536 HD13 ' CE ' ' A' ' 32' ' ' LYS . 2.6 mp -68.04 131.18 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.7 138.7 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.64 132.78 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.924 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -113.2 120.96 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.03 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.97 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.1 p -124.84 138.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -147.07 172.04 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.1 t0 -78.89 -16.73 56.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -51.07 -51.83 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.788 ' O ' HD12 ' A' ' 21' ' ' LEU . 61.6 p -40.5 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 m -63.86 -52.44 60.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 4.0 tmm_? -64.75 -72.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.56 -31.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.115 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.5 mt -68.58 -51.4 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 19' ' ' ARG . 4.3 pp -70.5 -48.14 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -53.73 -32.78 47.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.2 m-20 -75.64 -46.78 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.216 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.686 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.1 mm? -55.29 -52.62 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.81 ' HB3' HD12 ' A' ' 34' ' ' ILE . 8.2 pt20 -59.03 -32.63 69.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.487 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 1.7 tm0? -77.57 -11.76 59.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.005 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.59 -49.79 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.7 49.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.005 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.4 m-30 -77.35 158.96 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' CG ' ' HB1' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.87 -64.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -136.34 112.13 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.03 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -85.11 134.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.562 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -138.05 112.59 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.5 151.73 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -139.01 -178.06 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.29 -56.68 22.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.865 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.61 169.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.28 -111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.0 pt-20 -51.91 -52.74 47.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.756 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.647 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -37.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.13 -45.49 1.09 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.616 1.197 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.687 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 tpt -55.27 -50.77 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 0.824 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -56.39 -37.63 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.406 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.66 -44.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 59.4 mmm -66.94 -33.43 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.81 82.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.73 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.2 -176.11 0.66 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 142.88 28.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.753 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.564 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.0 OUTLIER -137.83 143.77 41.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -137.01 -38.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -144.37 115.37 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.924 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -97.33 136.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.983 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.8 119.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -143.01 -175.58 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' N ' ' OG ' ' A' ' 57' ' ' SER . 38.7 p-10 -84.88 168.99 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.907 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.02 -14.87 53.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.756 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 30.4 m-80 -42.48 172.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.7 ptt? -108.58 67.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.756 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -74.98 -159.05 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.813 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.89 -31.21 70.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.435 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 25.9 mtp -152.35 122.78 7.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' LEU . 14.3 t70 -125.29 170.94 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -26.64 -38.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.66 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.73 -40.46 98.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.839 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.16 -47.86 74.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.904 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.25 -69.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -44.19 -32.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.95 -49.68 69.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.58 -51.03 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.598 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.2 mmm-85 -38.23 -30.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -82.66 -49.44 9.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.3 m-20 -101.9 123.17 44.73 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.04 -12.35 21.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.53 72.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -88.15 -22.88 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.583 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.69 -19.16 25.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.51 -5.71 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.55 153.61 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 106' ' ' ASN . . . -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.834 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.0 134.78 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.983 ' HB ' HG22 ' A' ' 56' ' ' ILE . 5.8 mt -112.59 133.13 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.907 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -125.14 109.75 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -119.76 161.96 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.906 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -136.74 174.72 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.13 -15.0 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -122.99 -88.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 88' ' ' THR . . . 168.05 135.23 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 31.2 m-20 -140.28 78.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.319 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -59.92 -36.17 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.3 91.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.08 -49.81 76.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.34 -59.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -50.05 -27.75 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.65 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -69.26 -48.98 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.755 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.51 -48.27 72.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.7 91.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.79 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.904 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.9 39.24 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.53 157.37 16.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 62.7 t30 -70.83 -49.22 48.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 72.6 m-80 -165.09 117.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.834 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.2 p -127.9 128.51 69.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.064 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.2 mm? -120.9 147.12 45.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.013 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.92 172.03 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -134.68 65.1 65.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.415 ' HG2' HG23 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.96 -160.4 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.21 20.73 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.08 95.73 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -51.03 -26.55 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 5.4 mt-10 -63.1 -42.2 99.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.707 ' HB2' HG23 ' A' ' 113' ' ' THR . 0.9 OUTLIER -75.66 -57.14 4.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.85 ' O ' HG23 ' A' ' 121' ' ' ILE . 11.3 tmm? -54.77 -53.92 48.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 ttmt -57.92 -58.65 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.42 -35.05 64.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.064 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.11 -55.4 35.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.16 -42.02 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -56.17 -20.03 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.39 -48.79 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.234 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.597 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -60.3 -32.03 49.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.597 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.4 m-30 -88.46 -11.01 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.47 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.19 -80.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.794 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -78.39 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -53.33 -64.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 tttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.505 ' CB ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.478 0.18 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.75 -43.05 15.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -147.29 -165.9 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.967 ' O ' HD12 ' A' ' 7' ' ' ILE . . . -53.9 -20.5 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 4' ' ' ALA . 10.3 tt0 -33.67 -41.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -35.92 -34.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.967 HD12 ' O ' ' A' ' 4' ' ' ALA . 3.5 mp -81.1 136.03 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.69 139.89 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.53 134.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.46 122.73 46.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.034 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.91 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -125.01 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.97 171.82 14.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 2.5 t0 -77.8 -17.39 57.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 135.07 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.74 -51.94 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 59.6 p -39.66 -53.24 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 m -63.78 -52.83 58.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.044 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.35 -71.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.125 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.66 -30.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.125 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.6 mt -67.67 -52.28 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.084 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.33 -46.16 64.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.084 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.23 -30.9 61.65 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.487 1.117 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 14.1 m-20 -75.4 -47.19 28.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 0.764 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -47.36 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.684 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.78 -51.03 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.715 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.9 pt20 -61.36 -32.72 72.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 11.0 tp60 -77.04 -11.61 59.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.036 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.09 -49.1 12.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.46 50.92 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 111.066 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.036 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.73 162.04 28.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 mptt -80.71 -64.2 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.755 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -137.67 112.4 8.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.034 HG23 HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -86.09 133.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.15 112.89 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.044 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.33 150.35 21.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.876 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.38 -177.85 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.85 -57.27 19.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.92 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.16 168.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.373 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.34 -111.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.595 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.3 pt-20 -51.46 -52.71 44.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.644 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.72 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.876 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.61 -45.24 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 44' ' ' MET . 2.2 tpp -55.38 -50.7 69.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.8 mtmt -56.53 -37.27 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -59.09 -44.56 91.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 mmm -66.63 -32.33 73.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.85 81.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -63.89 -63.41 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.601 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.74 -176.44 0.76 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.95 143.33 29.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.649 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -138.04 149.01 45.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.998 ' C ' HD13 ' A' ' 54' ' ' LEU . 10.7 t-160 -141.14 -50.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.89 110.7 11.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.852 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -94.28 135.03 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -137.11 119.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.5 t -141.54 -175.27 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 19.8 p-10 -86.78 163.66 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 1.009 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.81 -14.43 58.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.745 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 52.4 m-20 -45.61 176.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.573 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.41 68.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.745 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.01 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -59.46 -31.93 69.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.514 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.2 mtt -148.69 117.25 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 67' ' ' LEU . 25.2 t0 -117.16 172.67 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.47 -38.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.478 1.111 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.6 mm? -72.45 -63.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.55 -41.59 98.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.78 -48.33 75.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.921 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.3 tt -57.17 -69.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 1.19 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -42.7 -32.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.09 -50.24 69.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.831 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -58.24 -51.39 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.633 ' HD3' HD21 ' A' ' 70' ' ' LEU . 10.0 mmm180 -38.28 -29.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.23 -53.6 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 79' ' ' THR . 0.8 OUTLIER -94.47 123.75 57.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.91 -14.62 21.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.576 1.829 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.549 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.92 -45.27 82.52 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.831 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -89.88 -22.74 21.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.462 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -59.42 -24.95 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -98.84 -2.52 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.42 153.82 19.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -94.67 172.14 8.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.21 133.86 17.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 16.5 mt -109.31 130.25 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.009 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -126.81 106.64 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.01 161.7 30.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.881 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.58 174.57 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.13 -13.45 12.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -115.82 -85.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 88' ' ' THR . . . 156.02 134.02 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.622 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 86.3 m-20 -140.65 77.81 1.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -57.03 -34.91 68.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.97 86.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.58 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.53 -49.15 78.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.836 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -66.84 -59.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -49.41 -30.94 8.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.805 ' O ' HD23 ' A' ' 102' ' ' LEU . 31.9 mttt -67.17 -50.91 59.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.37 -50.7 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.504 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.39 -44.7 68.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.71 72.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.865 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.3 mm? -40.8 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.921 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 137.83 44.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.699 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.74 157.73 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.384 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 80' ' ' LYS . 2.3 t30 -71.09 -49.4 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.616 HD22 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -165.47 115.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.765 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -126.28 129.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.054 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.8 mm? -122.38 148.74 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.826 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -107.33 172.79 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -137.76 62.75 36.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.482 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.0 Cg_endo -74.99 -161.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.48 19.26 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.78 96.25 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.78 -26.81 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 12.3 tt0 -64.04 -40.11 95.58 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.592 1.183 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.598 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.29 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.91 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.7 ttt -55.03 -54.43 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.1 ttmt -56.28 -59.13 5.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.64 -36.22 66.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.054 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.42 -56.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.37 -41.68 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -56.38 -20.34 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.787 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.1 -47.71 8.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.616 HG23 HD22 ' A' ' 106' ' ' ASN . 0.3 OUTLIER -60.08 -35.64 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.717 ' HE2' HD12 ' A' ' 121' ' ' ILE . 45.7 m-85 -86.5 -8.87 57.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.28 -82.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.787 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.72 99.57 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -57.93 -69.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' LEU . 15.5 tttp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.582 ' H3 ' ' HB2' ' A' ' 6' ' ' LYS . 23.8 mmm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.441 0.162 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -82.34 -41.21 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -143.81 -165.85 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -52.2 -21.82 3.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 4' ' ' ALA . 27.9 tt0 -33.24 -50.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.582 ' HB2' ' H3 ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -49.82 -61.48 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.206 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HG2' ' A' ' 32' ' ' LYS . 1.4 mp -71.27 129.91 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.58 136.99 18.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.888 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -127.04 135.71 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.91 HD12 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -115.86 122.84 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.029 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -118.16 90.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.91 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -125.29 137.57 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -147.41 171.95 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 t70 -78.75 -14.52 59.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.35 133.46 22.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -51.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.799 ' O ' HD12 ' A' ' 21' ' ' LEU . 69.9 p -40.28 -52.55 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 m -64.34 -52.63 57.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.046 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.1 tmm_? -64.46 -71.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.55 -31.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.121 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.51 -51.84 46.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.44 -45.75 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.232 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.86 -31.09 60.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.0 m-20 -75.6 -47.45 26.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.31 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 2.0 mm? -55.68 -52.34 64.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.7 pt20 -59.19 -32.66 70.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 17.7 tt0 -78.7 -11.45 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -78.18 -49.88 12.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.199 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 136.57 47.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.582 1.176 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.08 158.8 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.84 ' HG2' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -81.64 -64.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.779 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.1 mm-40 -135.43 114.41 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.029 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -87.91 133.69 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -135.21 113.21 11.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.046 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.15 149.18 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.83 -177.63 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.12 -57.2 19.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.91 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.77 168.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.73 -112.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 22.2 pt-20 -51.74 -52.47 48.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 0.775 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.64 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.64 -29.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.57 -45.71 1.03 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 44' ' ' MET . 1.2 tpt -54.98 -50.52 68.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.8 mtmt -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.95 -43.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 22.6 mmt -67.54 -32.77 73.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.49 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.19 -175.88 0.66 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 141.69 27.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.629 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -136.58 144.96 44.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 1.001 ' C ' HD13 ' A' ' 54' ' ' LEU . 3.0 t-160 -137.07 -51.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.001 HD13 ' C ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -128.67 110.86 12.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 HD12 ' A' ' 10' ' ' LEU . 4.5 t -95.44 133.74 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -135.49 120.33 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.7 t -141.98 -175.08 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 57' ' ' SER . 22.3 p-10 -87.91 164.56 15.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.995 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -81.37 -13.93 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.77 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 56.8 m-80 -45.08 176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 61' ' ' MET . 1.6 ptm -107.91 67.57 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.77 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.7 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.68 -31.84 71.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 2.2 mtt -149.83 121.85 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 67' ' ' LEU . 19.6 t0 -123.98 172.24 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.32 -37.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.59 -64.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.56 -39.21 97.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.809 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.5 mp -56.58 -48.39 77.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.882 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.0 OUTLIER -57.22 -69.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -43.48 -31.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.07 -49.83 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.42 -51.37 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.605 ' HD3' HD21 ' A' ' 70' ' ' LEU . 8.0 mmm180 -37.76 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.57 -52.06 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -97.86 123.47 51.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.6 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -12.95 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.494 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -64.11 -46.24 85.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -91.79 -22.97 19.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.6 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.27 -20.35 41.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -0.78 29.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.73 154.26 19.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -95.15 172.0 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.777 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.91 134.73 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.981 ' HB ' HG22 ' A' ' 56' ' ' ILE . 17.5 mt -109.43 130.04 63.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.995 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -127.69 108.48 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.25 165.25 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.48 174.4 10.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.46 -13.88 16.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -115.52 -86.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.38 135.18 1.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.384 1.053 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 75.3 m-20 -141.61 79.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -58.76 -36.98 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -65.33 -39.83 92.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -59.38 -47.44 85.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.005 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -65.15 -60.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.499 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -50.76 -27.75 7.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.673 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.8 mttt -69.72 -49.43 53.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.35 -53.66 54.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -53.85 -48.36 70.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.58 91.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.882 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 152.33 40.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.72 157.21 16.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -70.55 -49.73 44.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.432 ' OD1' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -165.4 116.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -128.05 128.63 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.04 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -122.22 147.56 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.005 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.56 171.86 7.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.4 OUTLIER -138.18 63.79 37.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -90.35 19.41 5.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.382 1.051 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.591 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.88 96.87 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -52.14 -26.85 9.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mt-10 -64.26 -40.85 96.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.591 ' CB ' HG23 ' A' ' 113' ' ' THR . 11.9 tptp -74.79 -58.01 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.901 ' O ' HG23 ' A' ' 121' ' ' ILE . 3.2 ttt -55.25 -54.79 38.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -56.13 -58.32 8.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.21 -36.24 68.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.04 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.74 -56.37 22.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.8 -42.09 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.96 -20.08 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.55 -47.41 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -60.18 -35.35 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.725 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.4 m-85 -87.07 -10.66 52.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.513 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.07 -83.61 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.801 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.06 99.6 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 2' ' ' SER . 5.1 ptm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.438 0.161 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -62.01 -41.53 98.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -144.79 -165.75 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -54.19 -21.99 10.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 4' ' ' ALA . 23.4 tt0 -31.97 -48.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -49.68 -60.23 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -82.15 134.6 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -152.6 129.07 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.983 HG13 HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -114.6 136.26 51.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.889 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -116.5 120.02 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.049 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.36 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.912 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.0 p -124.75 139.26 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.24 171.18 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -77.78 -16.88 58.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -142.29 134.0 26.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -49.82 -53.15 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.786 ' O ' HD12 ' A' ' 21' ' ' LEU . 73.7 p -38.71 -52.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -63.93 -53.5 49.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.085 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 6.2 tmm_? -64.48 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.117 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.07 -31.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.117 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.3 mt -67.77 -52.3 38.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.085 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.5 pp -70.98 -46.67 61.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.085 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -58.13 -30.72 64.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.9 m-20 -74.91 -47.76 28.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.35 69.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.702 HD12 ' CE2' ' A' ' 31' ' ' PHE . 1.3 mm? -56.52 -52.05 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.9 pt20 -59.41 -32.59 70.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 18.7 tp60 -74.5 -14.97 60.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -74.2 -47.75 33.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 118.79 52.24 0.3 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.575 1.172 . . . . 0.0 110.966 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CE1' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -75.13 179.28 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.96 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -83.17 -65.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.0 tt0 -141.63 111.65 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.049 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -86.73 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.41 115.54 9.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.085 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -98.04 148.37 23.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.86 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -135.01 -177.28 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.44 -57.61 15.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.912 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 179.65 168.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 16.35 -111.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 16.9 pt-20 -50.9 -52.53 41.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.642 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.1 mm-40 -37.92 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.86 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.38 -45.28 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -55.02 -50.46 69.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' MET . 9.4 mtmt -56.42 -37.79 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -43.83 90.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.643 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 57.6 mmm -67.88 -32.5 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 44' ' ' MET . . . -62.79 -48.0 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.19 -63.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.627 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.61 -175.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.94 142.21 27.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.639 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -139.52 135.75 33.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.61 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -32.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.983 HD13 HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -143.87 119.29 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.7 t -105.24 136.14 40.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.96 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.34 118.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.14 -176.44 4.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' N ' ' OG ' ' A' ' 57' ' ' SER . 20.3 p-10 -82.12 164.03 21.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 1.005 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -80.86 -14.32 58.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 54.5 m-20 -44.72 175.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.4 ptt? -108.74 67.77 0.34 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.5 Cg_endo -74.98 -159.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -60.61 -35.63 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.1 mtp -146.08 120.87 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.2 t70 -124.1 170.77 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.576 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -28.43 -36.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.3 mm? -72.57 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.739 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -61.26 -39.58 97.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.439 1.087 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.861 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -56.44 -48.46 76.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -56.34 -70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -43.94 -32.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.31 -49.78 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -58.31 -51.44 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.577 ' HD3' HD21 ' A' ' 70' ' ' LEU . 15.7 mmm180 -38.26 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -87.06 -47.96 8.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -100.32 119.76 58.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.95 -14.96 21.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.27 88.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.673 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -90.73 -22.95 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.576 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.42 -21.26 50.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' CA ' ' HE2' ' A' ' 80' ' ' LYS . 13.1 pttt -96.72 -6.22 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.97 155.36 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -97.35 172.27 7.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.82 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.0 134.1 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.96 ' HB ' HG22 ' A' ' 56' ' ' ILE . 18.8 mt -110.6 132.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.005 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.76 108.34 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.861 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -128.26 160.68 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.861 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.53 174.61 10.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -59.38 -14.46 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -115.39 -85.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 88' ' ' THR . . . 155.11 135.17 1.99 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 80.1 m-20 -141.39 79.41 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -37.06 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.82 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.3 -47.97 81.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -64.58 -59.36 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.48 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.38 -27.23 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.666 ' O ' HD23 ' A' ' 102' ' ' LEU . 8.2 mttm -70.25 -48.93 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.374 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.79 -51.97 65.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.793 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.75 -48.8 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.29 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.25 -53.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.916 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.2 39.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.8 157.13 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.47 -48.72 47.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.494 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -164.74 116.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.82 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.7 p -126.2 129.78 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -122.28 147.75 45.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.95 172.01 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER -137.64 62.9 37.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.0 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.49 19.66 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.75 96.99 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.469 1.105 . . . . 0.0 110.421 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.89 -26.53 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -63.86 -40.69 97.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.587 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -75.24 -57.29 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.893 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.5 tmm? -55.63 -53.76 52.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 12.0 tttp -57.48 -58.68 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.87 -35.61 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.86 -56.01 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.893 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -57.23 -42.35 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.64 -20.34 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.33 -49.44 7.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.389 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -60.32 -31.35 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 -88.87 -12.89 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.433 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.59 -79.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.761 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.79 99.7 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.495 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.16 -75.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -82.97 -34.29 26.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.26 -164.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -52.84 -21.5 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -29.71 -61.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 38.58 48.27 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.503 HD11 ' CG ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -68.59 128.56 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HZ2' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.76 137.52 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.913 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.21 130.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -111.76 118.91 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.018 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.42 90.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.868 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.28 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.142 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -146.02 171.35 14.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.42 -9.05 58.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 1.198 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.73 136.5 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.44 -52.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.7 p -39.36 -53.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -64.02 -52.31 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.807 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.5 tmm_? -64.57 -71.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.9 -31.85 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.6 mt -66.7 -52.09 48.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.087 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.29 -45.2 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.087 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.11 -31.76 59.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.3 m-20 -75.92 -47.13 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -47.68 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -55.78 -53.66 53.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.699 ' HB3' HD12 ' A' ' 34' ' ' ILE . 11.5 pt20 -58.4 -33.09 69.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -76.47 -12.31 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -80.51 -49.45 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.87 50.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.943 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.34 158.71 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -81.01 -63.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -136.38 111.91 9.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.018 HG23 HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -84.96 131.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 114.24 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.807 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -98.05 152.86 18.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.851 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.29 -177.9 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.82 -56.47 24.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.868 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.46 168.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.63 -111.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.9 pt-20 -51.45 -52.94 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.648 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.89 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.851 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.77 -45.08 1.06 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.547 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -55.61 -50.63 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 12.9 mtmt -56.79 -35.43 68.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 50' ' ' ASN . 1.0 OUTLIER -60.0 -44.4 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.629 ' SD ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.7 -33.53 76.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.06 75.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.92 -64.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.199 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.622 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.9 -175.51 0.57 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.02 140.54 25.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 4.3 p-80 -134.58 147.39 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -142.33 -38.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.26 115.82 7.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.817 HG13 ' CD1' ' A' ' 10' ' ' LEU . 2.8 t -96.29 137.58 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.963 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -138.46 118.36 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -143.24 -175.53 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 110.057 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.2 p-10 -88.27 171.11 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.932 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.09 -13.71 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.763 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 m120 -41.65 172.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.536 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -108.64 67.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.054 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.763 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.4 Cg_endo -75.02 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.69 -31.57 71.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 9.9 mtp -150.08 121.69 8.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.549 1.155 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 67' ' ' LEU . 10.6 t70 -123.74 171.57 9.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.79 -39.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -73.01 -64.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -59.53 -40.69 96.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.705 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 mp -54.98 -48.17 73.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.905 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -56.77 -68.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -43.64 -31.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.55 -49.82 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.828 ' HA ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -56.92 -49.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -38.29 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.47 -53.17 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.215 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.563 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.98 123.3 59.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.06 -14.51 20.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.642 ' HB1' ' CE1' ' A' ' 52' ' ' HIS . . . -67.08 -46.57 73.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.828 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -87.71 -22.51 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -55.69 -26.91 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 5.95 38.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -100.36 151.88 20.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.65 171.49 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.768 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.68 138.38 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.963 ' HB ' HG22 ' A' ' 56' ' ' ILE . 10.7 mm -109.49 131.99 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.932 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.5 mm -127.63 109.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -122.12 164.74 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.92 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.67 174.22 10.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -60.9 -15.24 28.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.63 -87.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 88' ' ' THR . . . 169.16 135.98 1.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 40.0 m-20 -140.74 79.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -34.78 76.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.64 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.82 -48.76 80.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.042 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -63.35 -58.88 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -52.56 -26.61 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.643 ' O ' HD23 ' A' ' 102' ' ' LEU . 16.6 mttp -69.88 -48.89 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.452 ' HB3' HG11 ' A' ' 107' ' ' VAL . . . -56.67 -53.73 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.89 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.53 -47.75 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.54 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -41.12 -52.79 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.905 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 153.13 38.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.675 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -92.3 156.58 17.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -70.76 -49.31 48.15 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HB3' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -166.2 116.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.89 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -128.77 129.33 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.088 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -123.46 148.31 46.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.042 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.87 173.21 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.7 OUTLIER -133.75 64.36 67.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.429 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -160.26 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.443 1.76 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -94.63 19.55 9.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.551 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -120.91 95.06 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.12 -27.69 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.1 mm-40 -64.3 -41.31 96.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -74.97 -57.65 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.882 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -55.31 -54.78 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.5 OUTLIER -56.32 -58.41 8.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.15 -35.36 67.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.088 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.33 -56.02 27.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 117' ' ' MET . 0.3 OUTLIER -57.06 -41.78 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.378 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.05 -20.28 16.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.94 -48.6 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -60.56 -32.85 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.607 ' CD1' ' CG1' ' A' ' 124' ' ' VAL . 16.6 m-30 -87.92 -10.04 51.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.468 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.22 -80.02 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.733 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.92 99.1 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 0.72 . . . . 0.0 109.231 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -56.04 -67.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 109.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.486 0.184 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -83.21 -39.66 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -142.53 -166.42 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.604 ' HB1' ' HG2' ' A' ' 32' ' ' LYS . . . -53.09 -20.5 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' LYS . 3.8 tt0 -38.06 -48.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HG3' ' CD1' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -39.46 -38.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 2.5 mp -90.71 131.8 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -149.22 140.87 23.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -126.48 138.42 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.928 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -120.19 120.7 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.053 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.43 89.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -125.28 136.89 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -148.02 170.51 17.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 1.1 t70 -78.12 -16.4 58.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.23 134.09 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.63 -51.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.806 ' O ' HD12 ' A' ' 21' ' ' LEU . 10.4 p -39.98 -52.95 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -63.63 -53.86 44.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.081 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.9 tmm_? -63.66 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.98 -30.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 7.8 mt -66.78 -51.74 52.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.067 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -69.95 -46.6 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.067 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.07 -30.31 60.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.4 -50.18 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.248 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.62 83.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.2 mm? -56.03 -48.57 75.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.1 pt20 -60.41 -31.28 70.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -74.59 -13.21 60.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -83.18 -48.86 10.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 120.5 61.38 0.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD12 ' A' ' 34' ' ' ILE . 2.9 p90 -76.56 171.05 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 3.1 mptt -85.02 -62.61 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -143.5 97.61 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.053 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -73.5 139.33 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -140.22 115.28 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.081 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.45 146.66 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -133.65 -177.45 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -57.98 15.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.94 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 178.01 168.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.89 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.578 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.7 pt-20 -51.86 -52.3 50.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.628 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.2 mm-40 -37.46 -29.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.872 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -109.07 -45.15 1.04 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.462 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 1.2 tpt -55.47 -50.55 69.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 11.3 mtmt -56.48 -37.04 69.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER -59.06 -45.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.649 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.5 mmm -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.63 82.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -64.46 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.0 -177.55 0.97 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 145.14 30.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.598 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.6 OUTLIER -138.17 148.23 44.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.633 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -140.81 -40.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 3.9 tp -139.76 111.02 7.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.826 HG13 HD12 ' A' ' 10' ' ' LEU . 2.8 t -96.11 134.87 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -136.72 121.37 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.6 t -142.75 -175.06 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.55 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.7 p-10 -86.03 162.9 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 1.053 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -79.71 -14.9 58.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.724 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 72.3 m-20 -46.78 176.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.579 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.2 ptt? -108.83 69.38 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.724 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.1 Cg_endo -75.13 -160.11 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -58.86 -32.58 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 69' ' ' LEU . 2.9 mtt -148.34 118.52 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 67' ' ' LEU . 23.2 t70 -118.78 173.11 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -26.21 -38.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm? -72.21 -64.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 0.72 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.31 -41.85 98.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.71 -47.51 76.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.918 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.4 tt -57.31 -69.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -42.77 -31.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.89 -49.75 69.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.91 -51.01 77.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.649 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.4 mmm180 -38.03 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -88.4 -48.64 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.623 ' HB3' HG22 ' A' ' 79' ' ' THR . 7.5 m-20 -86.29 118.41 70.3 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.635 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.98 -12.69 21.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' ' CE ' ' A' ' 81' ' ' LYS . . . -72.57 -47.99 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.734 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.95 -17.2 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -49.75 -29.87 8.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.53 ' CE ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -103.33 -8.84 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.592 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -82.1 144.61 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.487 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -92.46 172.27 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.778 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -150.32 134.37 16.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.992 ' HB ' HG22 ' A' ' 56' ' ' ILE . 7.7 mt -109.9 129.74 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.053 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -125.51 105.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.893 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -130.73 163.03 28.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.893 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.65 174.53 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.21 -12.88 14.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.14 -86.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.182 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.49 ' N ' HG23 ' A' ' 88' ' ' THR . . . 152.23 133.62 1.97 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.628 ' O ' ' CZ ' ' A' ' 59' ' ' PHE . 71.0 m-20 -141.12 78.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 93' ' ' ARG . 12.4 mtm105 -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 98' ' ' LYS . . . -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CB ' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -60.87 -50.2 74.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -66.06 -59.63 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.527 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -49.68 -31.21 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.792 ' O ' HD23 ' A' ' 102' ' ' LEU . 5.1 mttp -66.88 -50.23 63.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -52.99 -50.63 63.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.23 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.46 -48.54 64.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.188 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.859 ' HB3' HD13 ' A' ' 70' ' ' LEU . 4.4 mm? -40.05 -45.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.918 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 136.72 46.23 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -95.92 157.55 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 22.8 t30 -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.05 115.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.778 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.5 p -128.11 128.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.076 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.7 mm? -124.26 145.33 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -103.84 171.89 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.456 ' CB ' ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.12 63.03 48.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -74.98 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.419 1.747 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.52 19.62 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.05 96.46 5.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.459 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -52.0 -26.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.1 tt0 -64.4 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.583 ' CB ' HG23 ' A' ' 113' ' ' THR . 8.1 tptt -74.89 -56.82 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.916 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.3 tmt? -55.79 -55.1 36.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 5.6 tttp -56.21 -58.12 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -56.49 -36.44 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.076 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.51 -57.15 13.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -58.13 -41.96 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.05 -19.45 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.789 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.51 -49.28 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.95 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.722 ' HE2' HD12 ' A' ' 121' ' ' ILE . 38.4 m-85 -87.54 -10.53 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -142.24 -83.6 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.789 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -76.27 100.2 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.5 OUTLIER -55.48 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HG2' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -82.67 -41.85 18.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.924 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -145.12 -167.1 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 7' ' ' ILE . . . -54.55 -21.87 11.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -31.55 -49.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' HE2' ' CD2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -57.2 -62.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.648 HD13 ' HD2' ' A' ' 32' ' ' LYS . 2.2 mp -70.96 131.06 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -150.91 135.11 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.895 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -123.54 135.23 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.69 119.3 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.035 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -113.66 90.61 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.9 p -126.04 136.03 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -145.0 171.88 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 7.8 t0 -78.67 -13.08 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -146.49 134.52 21.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.76 -52.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.793 ' O ' HD12 ' A' ' 21' ' ' LEU . 66.4 p -40.21 -52.39 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -53.08 54.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.099 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.8 tmm_? -64.37 -71.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.113 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -39.47 -31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.113 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 mt -67.44 -52.12 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.094 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -69.97 -45.68 66.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.094 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.38 -31.17 62.47 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.1 m-20 -75.53 -46.75 30.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 1.4 mm? -55.02 -48.67 73.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.531 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 7.0 pt20 -62.93 -32.01 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.4 tt0 -76.38 -12.29 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.075 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.043 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.4 -49.25 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 131.09 53.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.404 1.065 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.043 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -75.97 157.16 33.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.648 ' HD2' HD13 ' A' ' 7' ' ' ILE . 1.5 mmtt -77.14 -64.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.797 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.1 mm-40 -135.52 111.82 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.035 HG23 HD11 ' A' ' 11' ' ' ILE . 1.3 mt -86.98 132.92 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.37 113.53 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.099 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -97.86 149.78 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.896 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -136.66 -177.96 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.23 -56.94 20.88 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.909 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.64 168.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 18.08 -110.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -51.98 -53.19 44.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.637 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -37.8 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.896 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -107.68 -46.15 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tpp -54.65 -50.85 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.777 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' MET . 7.8 mtmt -56.17 -36.81 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -60.27 -43.53 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.648 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.6 mmm -68.04 -32.86 73.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.33 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.67 -62.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.589 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.33 -177.0 0.82 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.99 141.74 27.04 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.604 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 3.3 p-80 -135.97 143.49 44.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.522 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 6.3 t-80 -134.79 -38.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.63 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -144.78 118.46 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.4 t -98.59 139.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.11 119.07 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.9 t -143.16 -174.54 4.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 56.0 p30 -89.7 171.16 9.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.84 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.43 -14.37 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.767 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 20.9 m-20 -41.85 173.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.534 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.43 67.46 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.767 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.03 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -61.43 -31.86 71.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.5 mtp -149.74 122.1 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.39 1.056 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 67' ' ' LEU . 17.2 t0 -124.55 172.01 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.23 -39.58 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.451 1.095 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 102' ' ' LEU . 1.4 mm? -72.36 -63.78 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.58 -41.11 98.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.829 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -54.88 -48.63 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 103' ' ' GLY . 1.2 tt -58.54 -69.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -43.45 -32.8 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.29 -51.03 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -57.63 -50.89 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.596 ' HD3' HD21 ' A' ' 70' ' ' LEU . 20.3 mmm-85 -37.64 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.32 -50.02 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.1 m-20 -101.09 123.28 45.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -14.7 21.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.61 -46.89 83.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.19 -23.21 22.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.54 -19.55 38.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.44 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -4.56 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.94 148.25 23.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 172.77 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.354 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.795 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -147.64 137.57 22.84 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.959 ' HB ' HG22 ' A' ' 56' ' ' ILE . 11.6 mm -109.64 131.98 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.84 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.3 mm -126.65 108.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.929 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -118.48 162.97 17.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.929 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.83 173.92 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -61.43 -14.24 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.09 -89.01 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.552 ' N ' HG23 ' A' ' 88' ' ' THR . . . 163.04 133.96 1.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.851 ' HB3' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -141.63 79.32 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' NH1' HG21 ' A' ' 113' ' ' THR . 1.8 mtm180 -61.09 -38.25 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.508 ' O ' ' CD ' ' A' ' 98' ' ' LYS . . . -62.7 -34.93 78.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.851 HD23 ' HB3' ' A' ' 92' ' ' ASP . 4.6 mm? -67.2 -48.33 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.032 ' CG2' ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.56 -61.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.506 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -48.98 -29.75 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.22 -52.78 36.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -51.31 -56.26 13.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 1.044 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -56.25 -35.3 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 98' ' ' LYS . . . -66.61 -53.25 36.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.695 HD11 ' CD1' ' A' ' 67' ' ' LEU . 1.1 mt -39.14 -56.94 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.789 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 163.01 43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.585 1.178 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.986 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -95.97 154.9 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.43 -50.69 29.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.537 HD22 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -166.27 115.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.044 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.5 p -129.86 127.66 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.5 mm? -121.96 150.22 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.032 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . . . -110.62 171.26 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -129.72 69.88 81.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.438 ' HG3' ' CD ' ' A' ' 93' ' ' ARG . 18.1 Cg_endo -74.98 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -96.39 21.86 8.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.909 HG23 ' HB2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -127.03 99.34 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.4 pp -50.22 -28.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.533 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.2 mt-10 -63.2 -40.57 97.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.909 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.4 mmtt -74.64 -58.73 3.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.209 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.927 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 ttt -55.29 -55.05 35.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 13.0 tttt -55.43 -58.19 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.69 -37.35 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -58.13 -56.63 19.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -57.88 -41.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.74 -20.4 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -87.08 -49.36 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.537 HG23 HD22 ' A' ' 106' ' ' ASN . 0.3 OUTLIER -59.4 -37.39 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.724 ' HE2' HD12 ' A' ' 121' ' ' ILE . 43.9 m-85 -83.89 -9.19 58.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.444 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -144.57 -82.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.775 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -78.01 99.12 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.529 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -59.69 -70.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -82.4 -40.87 20.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.2 pp -146.05 -165.71 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.601 ' O ' ' O ' ' A' ' 7' ' ' ILE . . . -54.46 -23.41 15.96 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 4' ' ' ALA . 2.1 tt0 -29.34 -45.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' ALA . 2.7 tptt -70.76 -72.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.601 ' O ' ' O ' ' A' ' 4' ' ' ALA . 2.6 mp -68.24 129.0 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.57 137.88 28.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.844 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -124.37 136.02 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.65 120.72 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.041 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -115.52 89.84 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.7 p -124.59 136.89 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -145.91 171.75 14.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.226 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.89 -4.6 53.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -155.57 134.32 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.25 -51.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 12.6 p -40.29 -53.02 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.3 m -63.99 -53.1 55.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.778 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.26 -71.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.114 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.6 -31.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.114 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.5 mt -67.01 -51.92 48.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.4 pp -70.78 -45.68 64.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.076 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -56.62 -31.53 60.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 2.0 m-20 -75.69 -47.15 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -47.54 68.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.73 -53.05 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.778 ' HB3' HD12 ' A' ' 34' ' ' ILE . 7.6 pt20 -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 32.2 tp60 -76.5 -13.17 60.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.004 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -79.24 -49.66 12.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 134.88 51.94 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.004 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -76.67 161.51 28.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' CG ' ' HB ' ' A' ' 7' ' ' ILE . 1.1 mptt -81.09 -63.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -138.72 109.07 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.041 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.62 131.65 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.11 112.86 10.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.778 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.73 151.74 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -137.85 -178.28 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -56.8 22.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.884 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.74 168.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 0.785 . . . . 0.0 109.378 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.33 -110.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.5 pt-20 -51.62 -53.41 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.649 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 1.3 mm-40 -38.21 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.27 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.882 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.17 -45.2 1.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -55.32 -50.62 69.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 111.022 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 44' ' ' MET . 0.1 OUTLIER -56.6 -37.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -59.34 -44.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.655 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 54.3 mmm -67.99 -33.14 74.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.75 -47.4 83.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -64.33 -63.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.593 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -80.43 -176.67 0.78 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 143.33 28.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.562 1.822 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' HB2' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -136.89 142.01 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -132.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -145.73 118.44 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.902 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.1 t -98.76 138.4 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.991 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.01 119.12 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.544 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.3 t -142.91 -175.24 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.544 ' N ' ' OG ' ' A' ' 57' ' ' SER . 54.9 p-10 -89.72 171.7 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.941 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -83.33 -13.27 55.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 111.046 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.766 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 m120 -41.61 171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.533 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptp -108.67 67.28 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.3 Cg_endo -75.01 -159.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.18 -31.58 72.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 6.6 mtp -149.79 123.28 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.664 ' O ' ' N ' ' A' ' 67' ' ' LEU . 22.6 t0 -126.8 171.46 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -24.38 -39.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.65 -64.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.69 -40.05 97.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.813 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.32 -48.03 74.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.93 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.05 -69.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.73 -32.18 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.09 -50.41 66.23 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.4 -51.34 72.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HD3' HD21 ' A' ' 70' ' ' LEU . 13.7 mmm180 -37.56 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -85.54 -52.57 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB3' HG22 ' A' ' 79' ' ' THR . 1.7 m-20 -93.47 121.81 64.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.03 -14.91 20.94 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.461 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -65.79 -45.89 80.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -88.98 -23.23 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.11 -21.05 44.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.91 0.03 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -101.53 149.01 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 84' ' ' PHE . . . -93.07 171.93 8.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.804 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.97 135.53 19.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.991 ' HB ' HG22 ' A' ' 56' ' ' ILE . 20.7 mt -108.76 132.16 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.941 HG22 ' CD1' ' A' ' 59' ' ' PHE . 5.9 mm -126.47 110.33 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.904 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.27 166.23 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.904 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.7 t -141.15 174.64 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.48 -17.4 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.561 ' H ' HG23 ' A' ' 88' ' ' THR . 1.2 mt-30 -120.65 -86.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 88' ' ' THR . . . 162.03 136.62 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 29.8 m-20 -140.57 79.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 0.8 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -59.63 -35.71 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.326 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.4 92.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -59.05 -48.39 81.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.2 t -62.81 -59.4 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.476 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -51.4 -26.58 8.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.677 ' O ' HD23 ' A' ' 102' ' ' LEU . 3.0 mttt -70.1 -49.24 52.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.64 -53.74 54.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.57 -47.45 73.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.53 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -42.93 -51.93 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.93 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 151.3 40.29 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.64 157.44 15.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 7.6 t-20 -70.46 -50.17 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 0.5 OUTLIER -165.5 116.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.906 HG12 ' HB2' ' A' ' 100' ' ' ALA . 8.4 p -127.51 128.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.0 mm? -120.49 148.18 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -106.29 172.66 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 117' ' ' MET . 0.1 OUTLIER -137.4 64.61 46.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -160.68 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -91.85 19.93 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -122.13 95.83 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.2 pp -50.98 -27.01 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.6 mm-40 -64.26 -41.0 97.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.561 ' CB ' HG23 ' A' ' 113' ' ' THR . 0.1 OUTLIER -75.44 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.917 ' O ' HG23 ' A' ' 121' ' ' ILE . 1.5 tmt? -55.11 -54.29 45.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -57.05 -58.44 8.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.52 -36.95 67.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.21 -57.25 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 117' ' ' MET . 0.5 OUTLIER -58.86 -41.73 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.97 -19.98 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.35 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.807 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.87 -47.94 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.87 -35.95 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.735 ' HE2' HD12 ' A' ' 121' ' ' ILE . 41.7 m-85 -85.24 -16.46 40.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -136.13 -83.51 0.15 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.043 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.807 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.64 98.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 0.814 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.568 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -54.47 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.67 ' H1 ' ' HD3' ' A' ' 6' ' ' LYS . 43.3 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.443 0.163 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -37.33 75.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.3 pp -142.48 -165.16 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' HB1' ' HG2' ' A' ' 32' ' ' LYS . . . -53.76 -20.78 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -33.25 -46.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.67 ' HD3' ' H1 ' ' A' ' 1' ' ' MET . 3.9 tptp -41.16 -50.75 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.66 HG21 ' HD3' ' A' ' 32' ' ' LYS . 3.7 mp -72.73 139.8 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -150.0 140.34 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.815 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.92 134.66 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -115.02 121.34 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.055 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.22 90.54 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.886 HG22 ' HA ' ' A' ' 39' ' ' ASP . 5.5 p -124.0 137.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.4 171.63 15.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.532 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 2.1 t0 -74.54 -22.92 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 138.24 35.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.48 -52.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.803 ' O ' HD12 ' A' ' 21' ' ' LEU . 77.9 p -38.21 -53.05 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 m -63.88 -53.51 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.786 ' NH1' ' HB2' ' A' ' 36' ' ' ALA . 2.6 tmm_? -64.03 -71.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.118 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -38.98 -31.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.118 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.8 mt -67.17 -51.65 51.06 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.2 pp -71.1 -45.23 64.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.069 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.51 -31.55 63.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.6 m-20 -75.85 -47.06 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.78 68.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -55.69 -53.52 55.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.71 ' HB3' HD12 ' A' ' 34' ' ' ILE . 9.1 pt20 -58.85 -33.07 70.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 2.6 tm0? -75.55 -11.92 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.22 -49.5 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 135.5 50.97 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.3 m-30 -75.43 159.62 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HG21 ' A' ' 7' ' ' ILE . 4.5 mptt -80.83 -63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.746 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -137.68 111.65 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.055 HG23 HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -84.86 132.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -136.85 113.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.191 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.786 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . . . -97.88 151.24 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.12 -177.59 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.2 -57.03 20.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.886 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.99 168.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.216 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 17.66 -110.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 20.8 pt-20 -51.53 -53.26 39.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.643 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 1.3 mm-40 -37.97 -28.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.879 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.25 -45.38 1.09 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 44' ' ' MET . 0.9 OUTLIER -55.25 -50.85 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' MET . 10.9 mtmt -56.25 -37.42 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.602 1.189 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -44.52 91.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 51.6 mmm -67.03 -33.29 75.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.68 83.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -64.41 -63.95 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.604 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.37 -176.37 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.01 143.24 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.628 ' CE1' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -138.12 143.46 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.615 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 7' ' ' ILE . 10.5 t-80 -136.02 -39.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -143.25 117.27 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.6 t -98.51 138.29 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -139.54 118.61 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.2 t -142.98 -175.28 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' N ' ' OG ' ' A' ' 57' ' ' SER . 11.1 p-10 -87.51 171.52 10.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.918 ' CD1' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -83.71 -14.61 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.759 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 27.3 p-10 -40.88 171.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -108.16 68.26 0.31 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.759 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.02 -159.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.46 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.421 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 31.1 mtp -149.37 122.41 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 67' ' ' LEU . 9.0 t70 -125.43 172.39 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -25.1 -39.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.2 mm? -72.71 -64.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.42 -39.94 96.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.828 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.4 mp -55.6 -48.43 74.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.912 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -57.77 -69.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -43.88 -31.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 110.23 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -64.84 -49.4 70.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.63 -51.71 69.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.592 ' HD3' HD21 ' A' ' 70' ' ' LEU . 16.3 mmm180 -37.74 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.86 -51.47 6.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.6 m-20 -96.6 123.18 55.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.01 -15.06 20.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' C ' ' NE2' ' A' ' 52' ' ' HIS . . . -64.09 -46.81 82.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.52 -23.01 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.436 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.585 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.2 -21.72 24.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.19 1.64 33.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.53 146.03 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.32 172.12 8.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.817 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.26 135.72 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.016 ' HB ' HG22 ' A' ' 56' ' ' ILE . 21.0 mt -108.92 132.16 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.918 HG22 ' CD1' ' A' ' 59' ' ' PHE . 6.6 mm -125.99 109.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -120.67 163.84 17.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.94 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -140.07 174.72 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -64.08 -13.35 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.11 -89.02 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 88' ' ' THR . . . 167.42 134.3 1.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 33.3 m-20 -140.9 79.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -62.49 -36.94 84.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.7 91.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 92' ' ' ASP . 0.3 OUTLIER -59.11 -49.96 75.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -62.8 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -51.81 -27.03 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 102' ' ' LEU . 6.0 mttm -69.99 -49.18 54.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -55.5 -53.63 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.887 ' HB2' HG12 ' A' ' 107' ' ' VAL . . . -54.38 -48.07 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.19 89.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -40.9 -53.67 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.368 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.912 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 154.09 39.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.422 1.076 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.59 157.33 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.08 -49.4 44.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.454 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -166.37 115.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 100' ' ' ALA . 7.4 p -126.32 129.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.399 1.062 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.077 HD12 ' HB1' ' A' ' 120' ' ' ALA . 2.4 mm? -122.57 149.74 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -110.74 171.54 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.498 ' CB ' ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -131.44 67.02 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.577 1.83 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.41 19.49 9.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -123.14 97.8 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.61 -26.92 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 2.5 mt-10 -64.24 -40.73 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.56 ' CB ' HG23 ' A' ' 113' ' ' THR . 2.2 tmtm? -75.43 -57.53 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.823 ' O ' HG23 ' A' ' 121' ' ' ILE . 7.2 tmm? -55.29 -53.75 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -57.53 -58.91 6.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.49 -36.02 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.077 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -56.79 -55.07 39.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 117' ' ' MET . 0.2 OUTLIER -55.93 -42.06 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -56.23 -20.77 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.668 ' O ' ' HB3' ' A' ' 127' ' ' ALA . . . -88.75 -41.37 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.529 ' CG2' HD23 ' A' ' 108' ' ' LEU . 0.3 OUTLIER -64.09 -32.07 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.589 ' HE2' HD12 ' A' ' 121' ' ' ILE . 48.0 m-85 -89.9 -42.13 11.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -91.63 -50.8 2.64 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 123' ' ' ALA . . . -76.1 98.39 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 0.832 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -61.07 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.5 tttt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.378 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -56.97 -39.15 74.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 4' ' ' ALA . 1.4 pp -144.24 -164.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -53.28 -21.15 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.844 ' HG2' HD11 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -30.66 -69.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 33.94 58.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.844 HD11 ' HG2' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -64.61 125.58 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -152.76 141.26 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -125.52 131.15 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.91 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -112.98 122.01 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.051 HD11 HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -116.47 90.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 39' ' ' ASP . 4.8 p -125.4 137.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 6.4 t0 -79.38 -9.14 59.53 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.497 1.123 . . . . 0.0 109.381 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -149.03 132.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.71 -51.82 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.797 ' O ' HD12 ' A' ' 21' ' ' LEU . 68.4 p -40.14 -53.28 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.8 m -64.3 -52.5 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.056 ' NH1' ' HB1' ' A' ' 36' ' ' ALA . 5.6 tmm_? -64.11 -71.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.116 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.06 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.116 ' N ' HD23 ' A' ' 20' ' ' LEU . 8.4 mt -66.35 -51.94 52.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.083 HD12 ' N ' ' A' ' 23' ' ' GLY . 3.3 pp -70.32 -45.54 66.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.083 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -57.34 -30.78 61.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -75.92 -47.41 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 -47.75 68.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.17 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.69 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.5 mm? -55.16 -51.09 67.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 34' ' ' ILE . 4.1 pt20 -60.84 -32.68 72.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -75.5 -12.78 60.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.002 HD21 ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -81.02 -49.58 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 29' ' ' LEU . . . 132.75 53.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.002 ' CE1' HD21 ' A' ' 29' ' ' LEU . 1.1 m-30 -75.67 160.64 29.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.92 -63.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.737 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.6 tp60 -138.06 111.21 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.051 HG23 HD11 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -84.71 133.14 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -137.08 112.45 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.056 ' HB1' ' NH1' ' A' ' 19' ' ' ARG . . . -96.8 151.03 20.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . -138.63 -177.94 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -57.27 19.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.881 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER 177.19 168.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . 19.44 -112.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.6 ' HG3' ' N ' ' A' ' 42' ' ' GLN . 18.6 pt-20 -52.2 -52.37 52.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.633 ' CB ' ' H ' ' A' ' 39' ' ' ASP . 0.9 OUTLIER -37.7 -29.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.865 ' HA2' ' CB ' ' A' ' 37' ' ' ALA . . . -108.83 -45.62 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.677 ' HB2' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -55.24 -50.62 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 8.1 mtmt -56.69 -37.61 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.404 HG23 HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -58.65 -43.48 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.65 ' CG ' ' CB ' ' A' ' 10' ' ' LEU . 52.5 mmm -67.42 -33.86 76.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.7 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -64.56 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -79.11 -175.85 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 142.63 28.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' HB ' ' A' ' 79' ' ' THR . 4.5 p-80 -139.14 143.83 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -138.0 -37.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -142.96 114.79 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.91 HG13 ' CD1' ' A' ' 10' ' ' LEU . 3.3 t -98.19 137.03 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -138.39 119.01 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 58' ' ' ASP . 2.8 t -142.61 -175.48 4.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' N ' ' OG ' ' A' ' 57' ' ' SER . 30.0 p-10 -84.14 165.92 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.937 ' HA ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.23 -13.88 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.751 ' C ' ' HD3' ' A' ' 62' ' ' PRO . 2.5 m-20 -44.97 175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.565 ' CG ' ' O ' ' A' ' 61' ' ' MET . 3.3 ptt? -108.79 67.92 0.34 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.751 ' HD3' ' C ' ' A' ' 60' ' ' ASN . 18.2 Cg_endo -75.09 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.63 -31.16 70.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.448 ' SD ' ' HG2' ' A' ' 44' ' ' MET . 5.1 mtp -152.11 121.84 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.2 t0 -123.64 170.71 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.6 ' HA3' HD13 ' A' ' 86' ' ' ILE . . . -27.32 -37.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mm? -72.57 -64.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -60.56 -40.36 97.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.2 mp -55.81 -47.65 76.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.928 HD11 ' N ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -56.21 -69.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -43.94 -32.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.842 HG13 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.79 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.587 ' HD3' HD21 ' A' ' 70' ' ' LEU . 18.3 mmm-85 -37.96 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.406 1.066 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.82 -52.2 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -97.68 123.69 51.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.0 -14.26 21.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 52' ' ' HIS . . . -63.8 -47.53 80.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -89.08 -23.09 22.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.588 ' CG ' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -58.03 -18.55 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -1.73 28.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.59 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.6 147.48 25.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 106' ' ' ASN . . . -91.02 172.22 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.776 ' O ' ' HA ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.86 135.35 18.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG22 ' A' ' 56' ' ' ILE . 22.5 mt -110.46 132.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.937 HG22 ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -126.51 108.63 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.211 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -127.06 162.38 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.894 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -137.47 174.6 10.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' N ' ' OG1' ' A' ' 88' ' ' THR . . . -58.64 -15.18 10.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -117.33 -86.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.55 ' N ' HG23 ' A' ' 88' ' ' THR . . . 157.79 136.09 2.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.084 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.589 ' HB2' ' CE2' ' A' ' 59' ' ' PHE . 65.1 m-20 -140.94 79.2 1.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -58.68 -37.61 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.51 97.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.21 -48.64 79.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 109' ' ' ALA . 1.1 t -62.85 -58.93 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -51.65 -27.25 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.679 ' O ' HD23 ' A' ' 102' ' ' LEU . 23.0 mttt -69.63 -48.66 59.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -57.01 -51.73 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.698 ' HB2' ' CG1' ' A' ' 107' ' ' VAL . . . -54.05 -49.37 69.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.6 88.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 98' ' ' LYS . 0.3 OUTLIER -40.12 -53.06 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.928 ' N ' HD11 ' A' ' 70' ' ' LEU . . . 150.01 39.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.664 ' HB1' ' HE2' ' A' ' 84' ' ' PHE . . . -94.23 157.51 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -70.85 -48.78 52.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.481 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -165.88 115.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.363 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.776 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 7.3 p -125.77 129.45 72.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.017 HD12 ' HB1' ' A' ' 120' ' ' ALA . 1.9 mm? -122.12 148.11 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.029 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -105.66 172.11 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -137.95 62.8 35.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.479 ' HG2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 19.64 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -121.86 96.17 4.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.3 pp -51.45 -27.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -63.49 -41.08 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CB ' HG23 ' A' ' 113' ' ' THR . 4.0 tptt -74.96 -57.83 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.906 ' O ' HG23 ' A' ' 121' ' ' ILE . 8.7 tmm? -55.25 -54.68 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 1.1 tmtt? -56.38 -58.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.213 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 115' ' ' GLU . . . -55.63 -36.34 66.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 1.017 ' HB1' HD12 ' A' ' 108' ' ' LEU . . . -57.79 -56.18 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 117' ' ' MET . 0.4 OUTLIER -57.78 -41.28 79.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.5 -19.67 16.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 127' ' ' ALA . . . -88.42 -48.15 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -59.74 -36.25 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' ' 121' ' ' ILE . 44.2 m-85 -85.47 -9.55 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 128' ' ' LEU . . . -143.7 -82.72 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.771 ' O ' ' HB1' ' A' ' 123' ' ' ALA . . . -77.13 99.53 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 128' ' ' LEU . 0.7 OUTLIER -59.68 -69.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.943 . . . . . . . . 0 0 . 1 stop_ save_